CAS 108446-73-7

3-[3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid

Description:

3-[3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid, with the CAS number 108446-73-7, is an organic compound characterized by its complex structure, which includes a pyrazole ring and a propenoic acid moiety. This compound features a bromophenyl substituent, contributing to its potential reactivity and biological activity. The presence of the propenoic acid functional group suggests that it may exhibit acidic properties, allowing for potential interactions in various chemical environments. Its molecular structure indicates that it may participate in various chemical reactions, including electrophilic substitutions and conjugation reactions, due to the presence of both aromatic and unsaturated systems. Additionally, the bromine atom can influence the compound's electronic properties and solubility, potentially enhancing its pharmacological profile. Overall, this compound may be of interest in medicinal chemistry and materials science, where its unique structural features could lead to novel applications or therapeutic agents.

Formula: C₁₈H₁₃BrN₂O₂

InChI: InChI=1S/C18H13BrN2O2/c19-15-9-6-13(7-10-15)18-14(8-11-17(22)23)12-21(20-18)16-4-2-1-3-5-16/h1-12H,(H,22,23)

InChI key: InChIKey=QPKFCXWJIXKZHC-UHFFFAOYSA-N

SMILES: C(=CC(O)=O)C=1C(=NN(C1)C2=CC=CC=C2)C3=CC=C(Br)C=C3

Synonyms:

• (2E)-3-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoate
• (2E)-3-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
• 2-Propenoic acid, 3-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-
• 3-[3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-2-propenoic acid