CAS 1015846-04-4

3-(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid

Description:

3-(4-Amino-3,5-dimethyl-1H-pyrazol-1-yl)benzoic acid, identified by its CAS number 1015846-04-4, is an organic compound characterized by the presence of both an amino group and a carboxylic acid functional group. This compound features a pyrazole ring, which contributes to its unique chemical properties, and a benzoic acid moiety that enhances its potential for hydrogen bonding and interactions with biological systems. The presence of the dimethyl groups on the pyrazole ring can influence its solubility and reactivity, making it a candidate for various applications in medicinal chemistry and material science. The amino group can participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, while the carboxylic acid can act as a proton donor, affecting the compound's acidity and reactivity. Overall, this compound's structural features suggest potential utility in pharmaceutical development, particularly in the design of bioactive molecules.

Formula: C₁₂H₁₃N₃O₂

InChI: InChI=1S/C12H13N3O2/c1-7-11(13)8(2)15(14-7)10-5-3-4-9(6-10)12(16)17/h3-6H,13H2,1-2H3,(H,16,17)

InChI key: InChIKey=PJFLKWSUDICIDO-UHFFFAOYSA-N

SMILES: CC=1N(N=C(C)C1N)C2=CC(C(O)=O)=CC=C2

Synonyms:

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

Benzoic acid, 3-(4-amino-3,5-dimethyl-1H-pyrazol-1-yl)-

CAS: 1015846-04-4

Formula: C₁₂H₁₃N₃O₂

Molecular weight: 231.2505

Ref: IN-DA0004W3