CAS 1315367-34-0

1-(3-Chloropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid

Description:

1-(3-Chloropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. The presence of a carboxylic acid functional group (-COOH) indicates that it can participate in acid-base reactions and may exhibit polar characteristics, enhancing its solubility in polar solvents. The chloropropyl substituent introduces a halogen, which can influence the compound's reactivity and biological activity. The two methyl groups at the 3 and 5 positions of the pyrazole ring contribute to its hydrophobic character and may affect its steric properties. This compound may be of interest in pharmaceutical chemistry due to its potential biological activities, including antimicrobial or anti-inflammatory properties. Additionally, its unique structure may allow for further derivatization, making it a candidate for various synthetic applications. As with any chemical substance, safety data and handling precautions should be considered when working with this compound.

Formula: C₉H₁₃ClN₂O₂

InChI: InChI=1S/C9H13ClN2O2/c1-6-8(9(13)14)7(2)12(11-6)5-3-4-10/h3-5H2,1-2H3,(H,13,14)

InChI key: InChIKey=KLFCJGBCKWAYBN-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C)N(CCCCl)N=C1C

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 1-(3-chloropropyl)-3,5-dimethyl-
• 1-(3-Chloropropyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid