CAS 1211592-23-2

1-(1-Methylethyl)-4-nitro-1H-pyrazole-3-carboxylic acid

Description:

1-(1-Methylethyl)-4-nitro-1H-pyrazole-3-carboxylic acid, identified by its CAS number 1211592-23-2, is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity in various chemical reactions. The presence of a nitro group at the 4-position of the pyrazole ring enhances its electrophilic properties, making it useful in synthetic applications. The isopropyl group at the 1-position provides steric hindrance, which can influence the compound's reactivity and interactions with other molecules. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its solubility, stability, and reactivity can vary depending on the solvent and conditions, which are essential considerations for its application in chemical synthesis or biological studies. Overall, this compound represents a unique structure with potential utility in various fields, including medicinal chemistry and agrochemicals.

Formula: C₇H₉N₃O₄

InChI: InChI=1S/C7H9N3O4/c1-4(2)9-3-5(10(13)14)6(8-9)7(11)12/h3-4H,1-2H3,(H,11,12)

InChI key: InChIKey=JWTQEUMMXKDBON-UHFFFAOYSA-N

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

Synonyms:

• 1-(1-Methylethyl)-4-nitro-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 1-(1-methylethyl)-4-nitro-