CAS 1311315-23-7

1-(3-Chloro-2-pyridinyl)-3-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

Description:

1-(3-Chloro-2-pyridinyl)-3-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrazole ring substituted with various functional groups. The presence of a chloro group on the pyridine ring and a trifluoromethyl group enhances its reactivity and potential biological activity. This compound is likely to exhibit polar characteristics due to the carboxylic acid functional group, which can participate in hydrogen bonding. The trifluoromethyl group contributes to its lipophilicity, potentially influencing its solubility and interaction with biological membranes. The compound may be of interest in pharmaceutical research, particularly in the development of agrochemicals or medicinal agents, due to its unique structural features. Its synthesis and characterization would typically involve standard organic chemistry techniques, and its properties can be further explored through various analytical methods such as NMR, IR spectroscopy, and mass spectrometry. Overall, this compound represents a class of heterocyclic compounds with diverse applications in chemistry and biology.

Formula: C₁₁H₇ClF₃N₃O₂

InChI: InChI=1S/C11H7ClF3N3O2/c1-5-7(10(19)20)8(11(13,14)15)18(17-5)9-6(12)3-2-4-16-9/h2-4H,1H3,(H,19,20)

InChI key: InChIKey=GVCVHPNNXHSGHH-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N(N=C(C)C1C(O)=O)C2=C(Cl)C=CC=N2

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 1-(3-chloro-2-pyridinyl)-3-methyl-5-(trifluoromethyl)-
• 1-(3-Chloro-2-pyridinyl)-3-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid