CAS 1006348-53-3

2-[[(1-Ethyl-1H-pyrazol-4-yl)methyl]amino]benzoic acid

Description:

2-[[(1-Ethyl-1H-pyrazol-4-yl)methyl]amino]benzoic acid, with the CAS number 1006348-53-3, is a chemical compound characterized by its unique structure that combines a benzoic acid moiety with a pyrazole derivative. This compound features an ethyl-substituted pyrazole ring linked to a benzene ring through a methylamino group, which contributes to its potential biological activity. The presence of both the carboxylic acid functional group and the pyrazole ring suggests that it may exhibit acidic properties and could participate in hydrogen bonding, influencing its solubility and reactivity. Additionally, the compound may possess pharmacological properties, making it of interest in medicinal chemistry. Its molecular structure allows for various interactions with biological targets, which could be explored for therapeutic applications. Overall, the characteristics of this compound highlight its potential utility in research and development within the fields of organic and medicinal chemistry.

Formula: C₁₃H₁₅N₃O₂

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

InChI key: InChIKey=JKOCJZOJIWGILJ-UHFFFAOYSA-N

SMILES: N(CC1=CN(CC)N=C1)C2=C(C(O)=O)C=CC=C2

Synonyms:

• 2-[[(1-Ethyl-1H-pyrazol-4-yl)methyl]amino]benzoic acid
• Benzoic acid, 2-[[(1-ethyl-1H-pyrazol-4-yl)methyl]amino]-

2-{[(1-Ethyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid

CAS: 1006348-53-3

Versatile small molecule scaffold

Formula: C₁₃H₁₅N₃O₂

Purity: Min. 95%

Molecular weight: 245.28 g/mol

Ref: 3D-GQB34853