CAS 1017666-29-3

1-(3-Chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid

Description:

1-(3-Chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrazole ring, a pyrrole moiety, and a carboxylic acid functional group. The presence of the 3-chlorophenyl group contributes to its potential biological activity, as halogenated aromatic compounds often exhibit unique interactions in biological systems. This compound is likely to be a solid at room temperature, with moderate solubility in polar solvents due to the carboxylic acid group, which can engage in hydrogen bonding. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting various biological pathways. The compound may also exhibit interesting properties such as anti-inflammatory or analgesic effects, although specific biological activities would require empirical investigation. Safety and handling precautions should be observed, as with any chemical substance, particularly those with potential biological activity.

Formula: C₁₄H₁₀ClN₃O₂

InChI: InChI=1S/C14H10ClN3O2/c15-10-4-3-5-11(8-10)18-13(17-6-1-2-7-17)12(9-16-18)14(19)20/h1-9H,(H,19,20)

InChI key: InChIKey=HMERCURIUHMZGC-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(N(N=C1)C2=CC(Cl)=CC=C2)N3C=CC=C3

Synonyms:

• 1-(3-Chlorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxylic acid
• 1H-Pyrazole-4-carboxylic acid, 1-(3-chlorophenyl)-5-(1H-pyrrol-1-yl)-