CAS 879996-75-5

3-(2,4-Dimethylphenyl)-1H-pyrazole-4-carboxylic acid

Description:

3-(2,4-Dimethylphenyl)-1H-pyrazole-4-carboxylic acid is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of the 2,4-dimethylphenyl group contributes to its hydrophobic characteristics, while the carboxylic acid functional group (-COOH) imparts acidic properties and enhances its solubility in polar solvents. This compound is typically used in pharmaceutical research and development due to its potential biological activity, including anti-inflammatory and analgesic properties. Its molecular structure allows for various interactions, making it a candidate for further studies in medicinal chemistry. The compound's stability, reactivity, and solubility can be influenced by the substituents on the pyrazole ring and the phenyl group, which may affect its pharmacokinetic and pharmacodynamic profiles. As with many organic compounds, proper handling and storage are essential to maintain its integrity and efficacy in research applications.

Formula: C₁₂H₁₂N₂O₂

InChI: InChI=1S/C12H12N2O2/c1-7-3-4-9(8(2)5-7)11-10(12(15)16)6-13-14-11/h3-6H,1-2H3,(H,13,14)(H,15,16)

InChI key: InChIKey=KGEQBBPEZHGSNN-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=NNC1)C2=C(C)C=C(C)C=C2

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 3-(2,4-dimethylphenyl)-
• 3-(2,4-Dimethylphenyl)-1H-pyrazole-4-carboxylic acid