CAS 879996-70-0

3-(3-Bromophenyl)-1H-pyrazole-4-carboxylic acid

Description:

3-(3-Bromophenyl)-1H-pyrazole-4-carboxylic acid is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a bromophenyl group indicates that a bromine atom is substituted on a phenyl ring, contributing to the compound's unique reactivity and potential biological activity. The carboxylic acid functional group (-COOH) at the 4-position of the pyrazole ring imparts acidic properties and enhances solubility in polar solvents. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry. Its molecular structure allows for various interactions, including hydrogen bonding and π-π stacking, which can influence its behavior in biological systems. Additionally, the bromine substituent can affect the electronic properties of the molecule, potentially enhancing its reactivity or selectivity in chemical reactions. Overall, 3-(3-Bromophenyl)-1H-pyrazole-4-carboxylic acid is a versatile compound with applications in research and development within the fields of chemistry and pharmacology.

Formula: C₁₀H₇BrN₂O₂

InChI: InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)

InChI key: InChIKey=HXZRKWVFIZVNLV-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=NNC1)C2=CC(Br)=CC=C2

Synonyms:

• 3-(3-Bromophenyl)-1H-pyrazole-4-carboxylic acid
• 1H-Pyrazole-4-carboxylic acid, 3-(3-bromophenyl)-