CAS 1003521-50-3

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(2-methylphenyl)-

Description:

1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(2-methylphenyl)-, identified by its CAS number 1003521-50-3, is an organic 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 acidic properties, and is substituted with two methyl groups at the 3 and 5 positions of the pyrazole ring, enhancing its hydrophobic character. Additionally, it has a 2-methylphenyl group attached at the 1-position, which can influence its reactivity and solubility in various solvents. The presence of these functional groups suggests potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The compound's molecular structure may also impart specific biological activities, making it of interest in medicinal chemistry. Overall, its unique combination of functional groups and structural features contributes to its chemical behavior and potential utility in various chemical contexts.

Formula: C₁₃H₁₄N₂O₂

InChI: InChI=1S/C13H14N2O2/c1-8-6-4-5-7-11(8)15-10(3)12(13(16)17)9(2)14-15/h4-7H,1-3H3,(H,16,17)

InChI key: InChIKey=QBWKJLWULGTVGK-UHFFFAOYSA-N

SMILES: CC=1N(N=C(C)C1C(O)=O)C2=C(C)C=CC=C2

Synonyms:

• 3,5-Dimethyl-1-(2-methylphenyl)-1H-pyrazole-4-carboxylic acid
• 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(2-methylphenyl)-