CAS 1020253-48-8

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

Description:

1-[4-(Difluoromethoxy)phenyl]-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 difluoromethoxy group attached to a phenyl ring, contributing to its unique electronic properties and potential biological activity. The presence of a carboxylic acid functional group enhances its solubility in polar solvents and may influence its reactivity and interaction with biological targets. The methyl group at the 5-position of the triazole ring can affect the compound's steric and electronic properties, potentially impacting its pharmacological profile. This compound may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals, due to its structural features that could confer specific biological activities. Its CAS number, 1020253-48-8, allows for easy identification and reference in chemical databases and literature. Overall, this compound exemplifies the diverse chemistry of triazoles and their derivatives in drug discovery and development.

Formula: C₁₁H₉F₂N₃O₃

InChI: InChI=1S/C11H9F2N3O3/c1-6-9(10(17)18)14-15-16(6)7-2-4-8(5-3-7)19-11(12)13/h2-5,11H,1H3,(H,17,18)

InChI key: InChIKey=GWJAQUCLJNJITA-UHFFFAOYSA-N

SMILES: CC=1N(N=NC1C(O)=O)C2=CC=C(OC(F)F)C=C2

Synonyms:

• 1-[4-(Difluoromethoxy)phenyl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
• 1H-1,2,3-Triazole-4-carboxylic acid, 1-[4-(difluoromethoxy)phenyl]-5-methyl-

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

CAS: 1020253-48-8

Versatile small molecule scaffold

Formula: C₁₁H₉F₂N₃O₃

Purity: Min. 95%

Molecular weight: 269.2 g/mol

Ref: 3D-VQB25348