CAS 1020240-40-7

3-Methyl-1-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid

Description:

3-Methyl-1-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a methyl group and a 2-methylphenyl substituent enhances its hydrophobic characteristics, which may influence its solubility in organic solvents. The compound's molecular structure suggests it may exhibit biological activity, making it of interest in pharmaceutical research. Its CAS number, 1020240-40-7, allows for easy identification in chemical databases. As with many pyrazole derivatives, it may participate in various chemical reactions, including nucleophilic substitutions and condensation reactions. The specific properties, such as melting point, boiling point, and spectral data, would typically be determined through experimental methods and can vary based on purity and environmental conditions. Overall, this compound represents a unique structure that may have applications in medicinal chemistry and material science.

Formula: C₁₂H₁₂N₂O₂

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

InChI key: InChIKey=BTISNNKMYRWLDP-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1N(N=C(C)C1)C2=C(C)C=CC=C2

Synonyms:

• 3-Methyl-1-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
• 1-(2-Methylphenyl)-3-methyl-1H-pyrazole-5-carboxylic acid
• 1H-Pyrazole-5-carboxylic acid, 3-methyl-1-(2-methylphenyl)-