CAS 1172831-14-9

3,5-Dimethyl-4-nitro-1H-pyrazole-1-acetonitrile

Description:

3,5-Dimethyl-4-nitro-1H-pyrazole-1-acetonitrile is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features two methyl groups at the 3 and 5 positions, contributing to its hydrophobic character and influencing its reactivity. The presence of a nitro group at the 4 position introduces significant electron-withdrawing properties, which can enhance the compound's reactivity in various chemical reactions. Additionally, the acetonitrile functional group attached to the pyrazole ring provides a polar character, making the compound soluble in polar solvents. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its unique structural features suggest potential applications in agrochemicals or as intermediates in organic synthesis. As with many nitrogen-containing heterocycles, it may also participate in coordination chemistry or serve as a ligand in metal complexes. Safety and handling precautions should be observed due to the presence of the nitro group, which can pose hazards.

Formula: C₇H₈N₄O₂

InChI: InChI=1S/C7H8N4O2/c1-5-7(11(12)13)6(2)10(9-5)4-3-8/h4H2,1-2H3

InChI key: InChIKey=XTDIZQSHMYATLU-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C)N(CC#N)N=C1C

Synonyms:

• 1H-Pyrazole-1-acetonitrile, 3,5-dimethyl-4-nitro-
• 3,5-Dimethyl-4-nitro-1H-pyrazole-1-acetonitrile