CAS 108444-25-3

1-BENZYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

Description:

1-Benzyl-3,5-dimethyl-1H-pyrazole-4-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 benzyl group, which contributes to its hydrophobic characteristics, and two methyl groups at the 3 and 5 positions of the pyrazole ring, enhancing its lipophilicity. The carboxylic acid functional group at the 4 position is responsible for its acidic properties and can participate in hydrogen bonding, influencing its solubility and reactivity. This compound is often studied for its potential biological activities, including anti-inflammatory and analgesic effects, making it of interest in pharmaceutical research. Its molecular structure allows for various interactions with biological targets, and its derivatives may exhibit enhanced pharmacological properties. As with many organic compounds, the physical properties such as melting point, boiling point, and solubility can vary based on environmental conditions and the presence of solvents.

Formula: C₁₃H₁₃N₂O₂

InChI: InChI=1/C13H14N2O2/c1-9-12(13(16)17)10(2)15(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17)/p-1

SMILES: Cc1c(c(C)n(Cc2ccccc2)n1)C(=O)[O-]

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(phenylmethyl)-
• 1-benzyl-3,5-dimethyl-1H-pyrazole-4-carboxylate
• 1-Benzyl-3,5-dimethyl-1H-pyrazole-4-carboxylic acid