CAS 1338495-11-6

2-[(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

Description:

2-[(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a pyrazole ring. The presence of the amino group and the dimethyl substitutions on the pyrazole ring contribute to its potential biological activity, making it of interest in medicinal chemistry. This compound is likely to exhibit both acidic and basic properties due to the carboxylic acid group and the amino group, respectively. Its solubility may vary depending on the pH of the solution, with increased solubility in acidic conditions. The compound's molecular interactions could be influenced by hydrogen bonding capabilities, which are significant in biological systems. Additionally, the presence of the pyrazole ring may impart specific pharmacological properties, potentially making it a candidate for further research in drug development. Overall, this compound's unique structural features suggest a range of possible applications in pharmaceuticals and biochemistry.

Formula: C₁₃H₁₅N₃O₂

InChI: InChI=1S/C13H15N3O2/c1-8-12(14)9(2)16(15-8)7-10-5-3-4-6-11(10)13(17)18/h3-6H,7,14H2,1-2H3,(H,17,18)

InChI key: InChIKey=UGVUIVRNDHVVLX-UHFFFAOYSA-N

SMILES: C(C1=C(C(O)=O)C=CC=C1)N2C(C)=C(N)C(C)=N2

Synonyms:

• 2-[(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
• Benzoic acid, 2-[(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-