CAS 1185292-65-2

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

Description:

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of a phenyl group and a trifluoromethyl group contributes to its unique chemical properties, including increased lipophilicity and potential biological activity. The carbonitrile functional group introduces a polar character, which can influence solubility and reactivity. This compound is often studied for its potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to its ability to interact with biological targets. Its trifluoromethyl group is known to enhance metabolic stability and bioactivity. Additionally, the compound may exhibit interesting electronic properties due to the electron-withdrawing nature of the trifluoromethyl group, which can affect the reactivity of the pyrazole ring. Overall, 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is a versatile compound with significant implications in chemical research and drug development.

Formula: C₁₁H₆F₃N₃

InChI: InChI=1S/C11H6F3N3/c12-11(13,14)10-8(6-15)7-17(16-10)9-4-2-1-3-5-9/h1-5,7H

InChI key: InChIKey=LWQJQWADNBQYCP-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C(C#N)=CN(N1)C2=CC=CC=C2

Synonyms:

• 1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
• 1H-Pyrazole-4-carbonitrile, 1-phenyl-3-(trifluoromethyl)-

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

CAS: 1185292-65-2

Formula: C₁₁H₆F₃N₃

Molecular weight: 237.1806

Ref: IN-DA00812Q