CAS 1004451-68-6

1-Acetyl-3-phenyl-1H-pyrazole-4-carboxaldehyde

Description:

1-Acetyl-3-phenyl-1H-pyrazole-4-carboxaldehyde is an organic compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features an acetyl group and a phenyl group, contributing to its unique reactivity and potential applications in organic synthesis and medicinal chemistry. The presence of the aldehyde functional group indicates that it can participate in various chemical reactions, such as condensation and oxidation. Its molecular structure allows for potential interactions with biological targets, making it of interest in drug development. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its properties, such as melting point, boiling point, and spectral characteristics, can vary based on purity and environmental conditions. As with many pyrazole derivatives, it may possess biological activity, including anti-inflammatory or antimicrobial properties, although specific biological data would require further investigation. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₂H₁₀N₂O₂

InChI: InChI=1S/C12H10N2O2/c1-9(16)14-7-11(8-15)12(13-14)10-5-3-2-4-6-10/h2-8H,1H3

InChI key: InChIKey=LBWZISYGONTAST-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole-4-carboxaldehyde, 1-acetyl-3-phenyl-
• 1-Acetyl-3-phenyl-1H-pyrazole-4-carboxaldehyde
• 1-acetyl-3-phenyl-pyrazole-4-carbaldehyde
• 1-acetyl-3-phenylpyrazole-4-carbaldehyde
• 1-ethanoyl-3-phenyl-pyrazole-4-carbaldehyde
• 1-ACETYL-3-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
• 1-acetyl-3-phenyl-4-pyrazolecarboxaldehyde