CAS 890624-89-2

5-Butyl-1H-pyrazole-3-carboxylic acid

Description:

5-Butyl-1H-pyrazole-3-carboxylic acid is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a butyl group, which contributes to its hydrophobic characteristics, and a carboxylic acid functional group that imparts acidic properties. The presence of the carboxylic acid group allows for potential hydrogen bonding and solubility in polar solvents. Its molecular structure suggests it may exhibit biological activity, making it of interest in pharmaceutical and agricultural research. The compound's CAS number, 890624-89-2, is a unique identifier that facilitates its identification in chemical databases. Additionally, the compound's stability, reactivity, and potential applications can be influenced by the substituents on the pyrazole ring and the length of the butyl chain. Overall, 5-Butyl-1H-pyrazole-3-carboxylic acid is a versatile compound with potential utility in various chemical and biological contexts.

Formula: C₈H₁₂N₂O₂

InChI: InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)

InChI key: InChIKey=ZJTXSGLJNBAMJS-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=C(CCCC)NN1

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 5-butyl-
• 3-Butyl-1H-pyrazole-5-carboxylic acid
• 5-Butyl-1H-pyrazole-3-carboxylic acid