pyrazoles-derivatives

Application of Free-Wilson models in spectroscopy. Reevaluation of the Tensmeyer additivity system in the proton NMR of pyrazoles was written by Cativiela, C.;Garcia, J. I.;Elguero, J.. And the article was included in Anales de Quimica, Serie C: Quimica Organica y Bioquimica in 1987.Electric Literature of C11H10N2O2 This article mentions the following:

Modified coefficients of the Tensmeyer additivity system are used to calculate ¹H NMR chem. shifts δ(4-H) of the proton at the 4-position of 1,3,5-substituted pyrazoles. The coefficients were reevaluated by using a more accurate math. procedure. In the experiment, the researchers used many compounds, for example, 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid (cas: 10199-53-8Electric Literature of C11H10N2O2).

1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid (cas: 10199-53-8) belongs to pyrazole derivatives. An alternative way to synthesize multisubstituted pyrazoles is the Csingle bondH arylation of simple pyrazoles. Pyrazole rings have been used as core components of several leading non-steroidal anti-inflammatory drugs (NSAIDs) and antihypertensive drugs. It has also been found to be useful as a bifunctional ligand for metal catalysis.Electric Literature of C11H10N2O2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Reaction of β-aminoenones with hydrazine derivatives. Regioselective synthesis of pyrazoles was written by Alberola, A.;Andres, C.;Gonzalez Ortega, A.;Pedrosa, R.;Vicente, M.. And the article was included in Anales de Quimica, Serie C: Quimica Organica y Bioquimica in 1987.Recommanded Product: 3,5-Dimethyl-1H-pyrazole-1-carboxamide This article mentions the following:

The β-aminoenones, obtained by hydrogenation of isoxazoles (Raney Ni W-2), react with hydrazine derivatives giving pyrazoles in excellent yields. The reaction is general and regiospecific, and allows the preparation of pyrazoles with different functionality at C(4). In the experiment, the researchers used many compounds, for example, 3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5Recommanded Product: 3,5-Dimethyl-1H-pyrazole-1-carboxamide).

3,5-Dimethyl-1H-pyrazole-1-carboxamide (cas: 934-48-5) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities.Recommanded Product: 3,5-Dimethyl-1H-pyrazole-1-carboxamide

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Pyrazolo-pyrimidines: A novel heterocyclic scaffold for potent and selective p38α inhibitors was written by Das, Jagabandhu;Moquin, Robert V.;Pitt, Sidney;Zhang, Rosemary;Shen, Ding Ren;McIntyre, Kim W.;Gillooly, Kathleen;Doweyko, Arthur M.;Sack, John S.;Zhang, Hongjian;Kiefer, Susan E.;Kish, Kevin;McKinnon, Murray;Barrish, Joel C.;Dodd, John H.;Schieven, Gary L.;Leftheris, Katerina. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2008.Computed Properties of C5H8N4O This article mentions the following:

The synthesis and structure-activity relationships (SAR) of p38α MAP kinase inhibitors based on a pyrazolo-pyrimidine scaffold are described. These studies led to the identification of compound I as a potent and selective inhibitor of p38α MAP kinase with excellent cellular potency toward the inhibition of TNFα production I was highly efficacious in vivo in inhibiting TNFα production in an acute murine model of TNFα production X-ray co-crystallog. of a pyrazolopyrimidine analog bound to unphosphorylated p38α is also disclosed. In the experiment, the researchers used many compounds, for example, 5-Amino-1-methyl-1H-pyrazole-4-carboxamide (cas: 18213-75-7Computed Properties of C5H8N4O).

5-Amino-1-methyl-1H-pyrazole-4-carboxamide (cas: 18213-75-7) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. Computed Properties of C5H8N4O

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Flavor evolution in raw Pu-erh tea during manufacturing using different processing types was written by Su, Dan;Xu, Tengsheng;Li, Yali;Zhou, Hongjie. And the article was included in LWT–Food Science and Technology in 2022.Recommanded Product: 1-Ethyl-1H-pyrazol-5-amine This article mentions the following:

This study aimed to explore the relationship between the processing type and the flavor in raw Pu-erh tea (RPT). Liquid chromatog.-mass, gas chromatog.-mass spectrometry, and multivariate analyses were employed to measure the component of RPT and to determine the changes in the flavor evolution of RPT at processing type. Sensory evaluation indicated that the processing type enhanced the flavor of the RPT. Based on 12 detected taste-active compounds, PCA and heat map anal. showed the average content of 4 catechins (ECG,EGCG, EC, EGC) in RPTs was 132.27 mg/g, which was 21.19 mg/g less than sun-dried tea (SDT). Astringency and bitterness of RPT can be reduced by processing type. A total of 52 volatile compounds were perceived and 4 volatile components were identified as essential compounds related to PLS-DA (VIP >1, P < 0.05), including phytol, linalool, cis-geraniol, and trans-geraniol, which increased from 62.27% in SDT to 66.25% in brick tea, which significantly contributes to the floral flavor of brick tea. The findings presented in this thesis add to our understanding of the relationship between the processing type and the flavor of RPT. In the experiment, the researchers used many compounds, for example, 1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3Recommanded Product: 1-Ethyl-1H-pyrazol-5-amine).

1-Ethyl-1H-pyrazol-5-amine (cas: 3528-58-3) belongs to pyrazole derivatives. The strategies for the synthesis of pyrazoles generally can be applied for the construction of indazoles. Pyrazole the presence of this nucleus in pharmacological agents of diverse therapeutic categories such as celecoxib, a potent anti-inflammatory, the antidepressant agent fezolamide have proved the pharmacological potential of the pyrazole moiety. Recommanded Product: 1-Ethyl-1H-pyrazol-5-amine

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Condensed pyrimidine systems. 5.6-methyl-functionalized in pyrazolo[3,4-d]pyrimidin-4(5H)-ones was written by Bol’but, A. V.;Vovk, M. V.. And the article was included in Zhurnal Organichnoi ta Farmatsevtichnoi Khimii in 2006.HPLC of Formula: 18213-75-7 This article mentions the following:

The cyclocondensation of chloroacetyl chloride with 5-amino-1H-pyrazole-4-carboxamide derivatives gave 6-(chloromethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one derivatives Reaction of the latter with thiourea or sodium azide gave 6-[[amino(imino)thio]methyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one and 6-(azidomethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one derivatives The latter compounds were then converted into corresponding 6-(aminomethyl), 6-(amidomethyl)- and 6-(thiomethyl) derivatives In the experiment, the researchers used many compounds, for example, 5-Amino-1-methyl-1H-pyrazole-4-carboxamide (cas: 18213-75-7HPLC of Formula: 18213-75-7).

5-Amino-1-methyl-1H-pyrazole-4-carboxamide (cas: 18213-75-7) belongs to pyrazole derivatives. Pyrazoles, a five-membered heterocycle containing two adjacent nitrogen atoms, are the core structures found in a number of molecules that possess a wide range of pharmaceutical and agricultural activities. Pyrazoles can be selectively lithiated at different carbons and subsequently react with electrophiles depending on the substitution patterns.HPLC of Formula: 18213-75-7

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

A robust protocol for Pd(ii)-catalyzed C-3 arylation of (1H) indazoles and pyrazoles: total synthesis of nigellidine hydrobromide was written by Ye, Mengchun;Edmunds, Andrew J. F.;Morris, James A.;Sale, David;Zhang, Yejia;Yu, Jin-Quan. And the article was included in Chemical Science in 2013.Name: 6-Chloro-1-methylpyrazolo[5,4-b]pyridine This article mentions the following:

C3-arylated indazole and pyrazoles are privileged structural motifs in agrochems. and pharmaceuticals. C-3 C-H arylation of (1H) indazole and pyrazole was a significant challenge due to the poor reactivity of the C-3 position. Herein, the authors report a practical Pd(ii)/Phen catalyst and conditions for the direct C-3 arylation of indazole and pyrazole with ArI or ArBr without using Ag additives as halide scavengers. The use of toluene, chlorobenzene, trifluoromethylbenzene and mesitylene as the solvent is crucial for the selectivity and reactivity. The authors further demonstrate the robustness of this protocol through the first total synthesis of nigellidine hydrobromide as well as the expedient preparation of heterocycles structurally related to pesticides and drug mols. In the experiment, the researchers used many compounds, for example, 6-Chloro-1-methylpyrazolo[5,4-b]pyridine (cas: 63725-52-0Name: 6-Chloro-1-methylpyrazolo[5,4-b]pyridine).

6-Chloro-1-methylpyrazolo[5,4-b]pyridine (cas: 63725-52-0) belongs to pyrazole derivatives. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. The presence of both electronegative nitrogen atoms in the pyrazole ring reduces the electron density of the C3- and C5-positions leaving electron density of C4-position unaltered. Thus the C4-position is vulnerable to electrophilic attack. The C3 electrophilic-position may undergo deprotonation in the presence of a strong base leading to ring opening.Name: 6-Chloro-1-methylpyrazolo[5,4-b]pyridine

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

High efficiency electroluminescence of orange-red iridium(III) complexes for OLEDs with an EQE over 30% was written by Su, Ning;Li, Shuaibing;Yang, Kun;Zhou, Feifan;Song, Jun;Zhou, Liang;Qu, Junle. And the article was included in Dyes and Pigments in 2021.Name: 2-(5-Methyl-1H-pyrazol-3-yl)pyridine This article mentions the following:

In this study, three pyrazol-pyridine ligands, 2-(3-methyl-1H-pyrazol-5-yl)pyridine (mepzpy), 2-(3-(trifluoromethyl)-1H-pyrazol-5-yl)pyridine (cf3pzpy), and 2-(3-phenyl-1H-pyrazol-5-yl)pyridine (phpzpy) were successfully synthesized for three orange-red iridium (III) complexes Ir₁, Ir₂, and Ir₃, resp., in which (2,6-bis(trifluoromethyl)pyridin-4-yl)isoquinoline (BTPIQ) was applied as main ligand. Their single crystals were obtained by vacuum sublimation. They showed distinct photoluminescent emissions at 583 nm with a shoulder peak at 624 nm, with high phosphorescence quantum yields of up to 89%. Organic light-emitting devices (OLEDs) with these complexes as emitters exhibits good performances. Especially, the device with Ir₃ complex achieves the best performance with a maximum luminance of 24,188 cd m^-2, and a highest external quantum efficiency of 30.65%. This research proved that Ir(III) complexes show highly enhanced performance by the modification of electro-donating benzene ring group into ancillary ligands, which also offers us an efficient strategy to obtain high efficiency orange-red Ir(III) complexes for OLEDs. In the experiment, the researchers used many compounds, for example, 2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4Name: 2-(5-Methyl-1H-pyrazol-3-yl)pyridine).

2-(5-Methyl-1H-pyrazol-3-yl)pyridine (cas: 19959-77-4) belongs to pyrazole derivatives. An alternative way to synthesize multisubstituted pyrazoles is the Csingle bondH arylation of simple pyrazoles. Pyrazoles and pyrimidines have diverse biological and pharmacological activities. There are a number of antimicrobial compounds containing pyrazole moiety as the core unit. Pyrazofurin is important antimicrobial drug and 2-methylpyrimidine-4-ylamine derivatives I and II were found to be effective inhibitors of Escherichia coli PDHc-E1 with antibacterial and antifungal activity.Name: 2-(5-Methyl-1H-pyrazol-3-yl)pyridine

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Evaluating hydrogen-bond propensity, hydrogen-bond coordination and hydrogen-bond energy as tools for predicting the outcome of attempted co-crystallisations was written by Sarkar, Nandini;Aakeroy, Christer B.. And the article was included in Supramolecular Chemistry in 2020.Safety of 4-Chloro-3,5-dimethyl-1H-pyrazole This article mentions the following:

Two different structure-informatics based methods and one approach based on hydrogen-bond interaction energies were evaluated for their abilities to predict the exptl. outcomes of attempted co-crystallisations between two known drug mols., Nevirapine and Diclofenac, and a series of potential co-formers. The hydrogen-bond propensity (HBP) tool gave the correct result in 26 out of 30 cases, whereas a hydrogen-bond coordination (HBC) method predicted the correct outcome in 22 out of 30 cases. Finally, calculated hydrogen-bond energies (HBE) using a simple electrostatic model, gave the correct result in 23 out of 30 experiments In those cases, where the crystal structure of a co-crystal of either Nevirapine or Diclofenac was known, we also examined how well the three methods predicted which primary hydrogen-bond interactions were present in the crystal structure. HBP correctly predicted 6 out of 6 cases, HBC could not predict any of the synthon formations correctly, and HBE successfully predicted 1 out of 6 cases. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8Safety of 4-Chloro-3,5-dimethyl-1H-pyrazole).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) belongs to pyrazole derivatives. Pyrazole is a weak base, with pKb 11.5 (pKa of the conjugated acid 2.49 at 25 °C).Pyrazole used as a ligand to prepare organometallic compounds. Pyrazoles are commonly used scaffold molecules in drug discovery projects. The use of pyrazole derivatives is based on their analgesic, anti-inflammatory, antipyretic, antiarrhythmic, sedative, muscle relaxant, neuroleptic, anticonvulsant, monoamine oxidase inhibitory, antidiabetic and antibacterial activities.Safety of 4-Chloro-3,5-dimethyl-1H-pyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Carbon-13 NMR chemical shifts of N-unsubstituted and N-methylpyrazole derivatives was written by Cabildo, Pilar;Claramunt, Rosa Maria. And the article was included in Organic Magnetic Resonance in 1984.Electric Literature of C5H7ClN2 This article mentions the following:

¹³C shielding data for 100 derivatives of pyrazole are reported. These include Me, Et, Pr, tert-Bu, Ph, hydroxymethyl, carboxyl, ethoxycarbonyl, cyano, amino, hydrazino, nitro, azido, chloro, bromo and iodo groups as substituents on the ring carbon atoms. In the experiment, the researchers used many compounds, for example, 4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8Electric Literature of C5H7ClN2).

4-Chloro-3,5-dimethyl-1H-pyrazole (cas: 15953-73-8) belongs to pyrazole derivatives. The 1H-pyrazole provides an excellent means by which to provide the requisite hydrogen bond acceptor–donor motifs, whether as a monocyclic ring or as a fused indazole ring. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.Electric Literature of C5H7ClN2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

4-Nitro-5-(3-pyridyl)pyrazole, a new oxidation product of nicotine. III. Confirmatory synthetical experiments was written by Gough, Geo. A. C.;King, Harold. And the article was included in Journal of the Chemical Society in 1933.Application of 45887-08-9 This article mentions the following:

The by-product in the oxidation of nicotine to nicotinic acid, 4-nitro-5-(3-pyridyl)pyrazole (C. A. 26, 990), gives the 4-NH₂ derivative, which on deamination gives 3-(5-pyridyl)pyrazole (I), whose picrate, crystals with 1 H₂O, m. 194-5°, methiodide, m. 217.5°, methopicrate, m. 185°, flavianate, crystals with 2 H₂O, orange, m. 229° (decomposition). β-Pyridoylacetone and N₂H₄ give quant. 3-methyl-5-(3-pyridyl)pyrazole, crystals with 1.5 H₂O, m. 81-3°, and then 137-8°; picrate, m. 202-3°; HCl salt, m. 214-6°; oxidation with KMnO₄ gives 5-(3-pyridyl)pyrazole-3-carboxylic acid, m. 308-10° (decomposition); picrate, m. 242-5°; heating at 310° gives I. In the experiment, the researchers used many compounds, for example, 3-(1H-Pyrazol-3-yl)pyridine (cas: 45887-08-9Application of 45887-08-9).

3-(1H-Pyrazol-3-yl)pyridine (cas: 45887-08-9) belongs to pyrazole derivatives. As is the case with imidazoles, the pyrazole ring offers many opportunities to create new multiring systems that incorporate this heterocycle. Protonation of pyrazole in strong acid leads to pyrazolium cations, which undergo electrophilic substitution preferentially at C3 rather than C4. The pyrazole anion is not reactive toward nucleophiles but is mostly reactive to electrophiles.Application of 45887-08-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics