CAS 1282672-05-2

4-Ethyl-5-phenyl-1H-pyrazole-3-carboxylic acid

Description:

4-Ethyl-5-phenyl-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features an ethyl group and a phenyl group, contributing to its unique properties and potential applications. The carboxylic acid functional group (-COOH) indicates that it can participate in acid-base reactions and may exhibit acidic behavior in solution. The presence of the phenyl group suggests potential for aromatic interactions, which can influence its solubility and reactivity. This compound may be of interest in medicinal chemistry and material science due to its structural features, which could lead to biological activity or utility in the synthesis of other compounds. Additionally, its specific molecular structure may allow for various functionalization opportunities, making it a versatile building block in organic synthesis. As with many pyrazole derivatives, it may also exhibit interesting pharmacological properties, warranting further investigation into its biological effects and potential applications.

Formula: C₁₂H₁₂N₂O₂

InChI: InChI=1S/C12H12N2O2/c1-2-9-10(8-6-4-3-5-7-8)13-14-11(9)12(15)16/h3-7H,2H2,1H3,(H,13,14)(H,15,16)

InChI key: InChIKey=QIZILENABUNMRO-UHFFFAOYSA-N

SMILES: C(C)C1=C(NN=C1C(O)=O)C2=CC=CC=C2

Synonyms:

• 4-Ethyl-5-phenyl-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 4-ethyl-5-phenyl-