CAS 312531-87-6

4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

Description:

4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid, with the CAS number 312531-87-6, is an organic compound characterized by its benzoic acid core substituted with a pyrazole moiety. This compound features a carboxylic acid functional group (-COOH) that contributes to its acidic properties, making it soluble in polar solvents. The presence of the 3,5-dimethyl-1H-pyrazole group introduces unique reactivity and potential biological activity, as pyrazole derivatives are often explored for their pharmacological properties. The compound's structure suggests it may exhibit both hydrophilic and lipophilic characteristics, influencing its interactions in biological systems. Additionally, the specific arrangement of substituents can affect its stability, reactivity, and potential applications in medicinal chemistry or as a building block in organic synthesis. Overall, this compound represents a class of substituted benzoic acids with potential utility in various chemical and pharmaceutical contexts.

Formula: C₁₃H₁₄N₂O₂

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

SMILES: Cc1cc(C)n(Cc2ccc(cc2)C(=O)O)n1

Synonyms:

• Benzoic acid, 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-
• 4-[(3,5-Dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

4-(3,5-Dimethyl-pyrazol-1-ylmethyl)-benzoic acid

CAS: 312531-87-6

Versatile small molecule scaffold

Formula: C₁₃H₁₄N₂O₂

Purity: Min. 95%

Molecular weight: 230.26 g/mol

Ref: 3D-MMA53187