CAS 1038997-36-2

5-[4-(1-Methylethoxy)phenyl]-1H-pyrazole-3-carboxylic acid

Description:

5-[4-(1-Methylethoxy)phenyl]-1H-pyrazole-3-carboxylic acid, identified by its CAS number 1038997-36-2, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a 1-methylethoxy group and a phenyl substituent enhances its lipophilicity and may influence its biological activity. The structural arrangement suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both aromatic and heterocyclic components. Additionally, the compound's properties, such as solubility, melting point, and stability, would be influenced by the substituents on the pyrazole ring. Overall, this compound's unique structure may offer interesting avenues for research in drug design and development, particularly in targeting specific biological pathways or mechanisms.

Formula: C₁₃H₁₄N₂O₃

InChI: InChI=1S/C13H14N2O3/c1-8(2)18-10-5-3-9(4-6-10)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17)

InChI key: InChIKey=SICSHWHTMSMJPM-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C=C(NN1)C2=CC=C(OC(C)C)C=C2

Synonyms:

• 5-[4-(1-Methylethoxy)phenyl]-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 5-[4-(1-methylethoxy)phenyl]-