CAS 1033463-41-0

1-[(4-Chlorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

Description:

1-[(4-Chlorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a 4-chlorophenyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The methyl group at the 5-position of the triazole ring can affect the compound's steric and electronic properties, potentially impacting its interactions with biological targets. This compound may exhibit various properties such as solubility in organic solvents, and its stability can be influenced by environmental factors like pH and temperature. Its unique structure suggests potential applications in medicinal chemistry, particularly in the development of antifungal or antibacterial agents, given the known activity of triazole derivatives in these areas. Further studies would be necessary to fully elucidate its biological properties and potential applications.

Formula: C₁₁H₁₀ClN₃O₂

InChI: InChI=1S/C11H10ClN3O2/c1-7-10(11(16)17)13-14-15(7)6-8-2-4-9(12)5-3-8/h2-5H,6H2,1H3,(H,16,17)

InChI key: InChIKey=LCBARIFHCDTSJH-UHFFFAOYSA-N

SMILES: C(N1C(C)=C(C(O)=O)N=N1)C2=CC=C(Cl)C=C2

Synonyms:

• 1H-1,2,3-Triazole-4-carboxylic acid, 1-[(4-chlorophenyl)methyl]-5-methyl-
• 1-(4-Chlorobenzyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
• 1-[(4-Chlorophenyl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid