Regiec, Andrzej et al. published their research in Journal of Molecular Structure in 2014 | CAS: 54210-32-1

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) 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. 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.Application In Synthesis of 1-Methyl-3-nitro-1H-pyrazole

Experimental and theoretical spectroscopic and electronic properties enriched with NBO analysis for 1-methyl-3-nitropyrazole and 1-methyl-5-nitropyrazole was written by Regiec, Andrzej;Wojciechowski, Piotr;Mastalarz, Henryk. And the article was included in Journal of Molecular Structure in 2014.Application In Synthesis of 1-Methyl-3-nitro-1H-pyrazole This article mentions the following:

Both exptl. and calculated spectral and electronic properties of two isomers 1-methyl-3-nitropyrazole and 1-methyl-5-nitropyrazole have been demonstrated and discussed in details based on normal mode anal. The fully anharmonic IR spectra with calculated anharmonic intensities for fundamental bands, overtones and combination bands were also reported. The stability of title mols. arising from hyper conjugative interaction have been demonstrated using natural bond orbital (NBO) anal. Electron affinities clearly point that 1-methyl-5-nitropyrazole should be much more susceptible to reduction process than 1-methyl-3-nitropyrazole what has been exptl. confirmed by measurement of reduction potential. For 1-methyl-5-nitropyrazole, unambiguous assignment of values of proton and carbon chem. shifts to appropriate protons and carbons has been made thanks to full anal. of 1H and 13C NMR spectra and two dimensional (2D) 1H-1H and 1H-13C NMR COSY spectroscopy. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1Application In Synthesis of 1-Methyl-3-nitro-1H-pyrazole).

1-Methyl-3-nitro-1H-pyrazole (cas: 54210-32-1) 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. 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.Application In Synthesis of 1-Methyl-3-nitro-1H-pyrazole

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