CAS 913837-60-2

3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-1-propanoic acid

Description:

3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-1-propanoic acid is a synthetic organic compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features an acetyl group and a propanoic acid moiety, contributing to its reactivity and potential biological activity. The presence of a 4-fluorophenyl substituent enhances its lipophilicity and may influence its interaction with biological targets. The molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the pyrrole's role in various biological processes. Additionally, the compound's functional groups may allow for further derivatization, making it a versatile building block in organic synthesis. Its CAS number, 913837-60-2, provides a unique identifier for regulatory and safety information. As with many organic compounds, understanding its solubility, stability, and reactivity under different conditions is crucial for its application in research and industry.

Formula: C₁₆H₁₆FNO₃

InChI: InChI=1S/C16H16FNO3/c1-10-14(11(2)19)9-15(18(10)8-7-16(20)21)12-3-5-13(17)6-4-12/h3-6,9H,7-8H2,1-2H3,(H,20,21)

InChI key: InChIKey=MWGNHLBNJGHFLI-UHFFFAOYSA-N

SMILES: C(CC(O)=O)N1C(=CC(C(C)=O)=C1C)C2=CC=C(F)C=C2

Synonyms:

• 3-Acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-1-propanoic acid
• 1H-Pyrrole-1-propanoic acid, 3-acetyl-5-(4-fluorophenyl)-2-methyl-