CAS 1020050-93-4

3-[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid

Description:

3-[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid, identified by its CAS number 1020050-93-4, is an organic compound characterized by its complex structure, which includes a propenoic acid moiety and a substituted pyrazole ring. This compound features a bromo substituent on the pyrazole, which can influence its reactivity and biological activity. The presence of the methoxy group on the phenyl ring enhances its lipophilicity, potentially affecting its solubility and interaction with biological membranes. The propenoic acid functional group suggests that it may participate in various chemical reactions, including polymerization and esterification. Additionally, compounds of this nature are often investigated for their potential pharmacological properties, including anti-inflammatory or anticancer activities, due to the presence of the pyrazole moiety, which is known for its diverse biological effects. Overall, this compound exemplifies the intricate interplay of functional groups that can dictate its chemical behavior and potential applications in medicinal chemistry.

Formula: C₁₄H₁₃BrN₂O₃

InChI: InChI=1S/C14H13BrN2O3/c1-20-13-4-2-10(3-5-14(18)19)6-11(13)8-17-9-12(15)7-16-17/h2-7,9H,8H2,1H3,(H,18,19)

InChI key: InChIKey=UMKOWEZMSWVOST-UHFFFAOYSA-N

SMILES: C(C1=C(OC)C=CC(C=CC(O)=O)=C1)N2C=C(Br)C=N2

Synonyms:

• 2-Propenoic acid, 3-[3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]-
• 3-[3-[(4-Bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]-2-propenoic acid