CAS 1245772-54-6

1-(Difluoromethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Description:

1-(Difluoromethyl)-3-nitro-1H-pyrazole-5-carboxylic acid is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with a difluoromethyl group and a nitro group, along with a carboxylic acid functional group. This compound typically exhibits properties such as moderate solubility in polar solvents due to the presence of the carboxylic acid, which can participate in hydrogen bonding. The difluoromethyl group contributes to its lipophilicity and may influence its reactivity and biological activity. The nitro group is known for its electron-withdrawing properties, which can affect the compound's acidity and overall reactivity. This substance may be of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential biological activities and applications. As with many pyrazole derivatives, it may exhibit interesting pharmacological properties, making it a candidate for further research in drug development or as a biochemical tool. Safety and handling precautions should be observed, as with any chemical compound, particularly those with reactive functional groups.

Formula: C₅H₃F₂N₃O₄

InChI: InChI=1S/C5H3F2N3O4/c6-5(7)9-2(4(11)12)1-3(8-9)10(13)14/h1,5H,(H,11,12)

InChI key: InChIKey=WMSRVPUDGZFSQI-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1N(C(F)F)N=C(N(=O)=O)C1

Synonyms:

• 1H-Pyrazole-5-carboxylic acid, 1-(difluoromethyl)-3-nitro-
• 1-(Difluoromethyl)-3-nitro-1H-pyrazole-5-carboxylic acid