Yi, Jian-hong et al. published their research in Hanneng Cailiao in 2010 | CAS: 54210-32-1

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) 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 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.Electric Literature of C4H5N3O2

Theoretical study on structures and detonation performances for nitro derivatives of pyrazole by density functional theory was written by Yi, Jian-hong;Hu, Shuang-qi;Liu, Sheng-nan;Cao, Duan-lin;Ren, Jun. And the article was included in Hanneng Cailiao in 2010.Electric Literature of C4H5N3O2 This article mentions the following:

Twenty-four nitropyzarole compounds and their derivatives were investigated by d. functional theory. Their optimized geometries and electronic structures were calculated at the B3LYP/6-311G(d,p) level. Optimized geometries of these compounds show that they have no imaginary frequencies, and they are stable on the potential energy surface. The heat capacity and enthalpy of some typical compounds at different temperatures were obtained by statistic thermodn., and isodesmic reactions were designed for calculating standard enthalpies of formation for the derivatives of nitropyzarole. The average molar volume and theor. d. were estimated using the Monte-Carlo method based on 0.001 e · bohr-3 d. space. Furthermore, the detonation velocity and pressure of the derivatives were estimated by the Kamlet-Jacbos equation. Results show that the ring of pyrazole has some aromaticity and the detonation velocities of these compounds are between 6.42 and 9.00 km · s-1. Detonation performances of these compounds show that they are very good candidates for energetic materials. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1Electric Literature of C4H5N3O2).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) 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 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.Electric Literature of C4H5N3O2

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