CAS 869663-56-9

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

Description:

4-[5-Amino-3-(1,1-dimethylethyl)-1H-pyrazol-1-yl]benzoic acid, with the CAS number 869663-56-9, is an organic compound characterized by its pyrazole and benzoic acid moieties. This substance features a pyrazole ring substituted with an amino group and a tert-butyl group, which contributes to its hydrophobic characteristics. The benzoic acid part of the molecule provides acidic properties, allowing it to participate in various chemical reactions, including esterification and amidation. The presence of the amino group enhances its potential for hydrogen bonding, making it soluble in polar solvents. This compound may exhibit biological activity, potentially serving as a pharmaceutical intermediate or a research chemical. Its structural complexity and functional groups suggest it could interact with biological systems, making it of interest in medicinal chemistry. Safety data and handling precautions should be considered, as with any chemical substance, to ensure proper usage and minimize risks.

Formula: C₁₄H₁₇N₃O₂

InChI: InChI=1S/C14H17N3O2/c1-14(2,3)11-8-12(15)17(16-11)10-6-4-9(5-7-10)13(18)19/h4-8H,15H2,1-3H3,(H,18,19)

InChI key: InChIKey=HPBNFHMSOYVHAU-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 4-[5-amino-3-(1,1-dimethylethyl)-1H-pyrazol-1-yl]-
• 4-[5-Amino-3-(1,1-dimethylethyl)-1H-pyrazol-1-yl]benzoic acid
• 4-(5-Amino-3-tert-butylpyrazol-1-yl)benzoic acid