CAS 1280520-89-9

1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-acetonitrile

Description:

1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-acetonitrile is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with a chlorophenyl group and a trifluoromethyl group. The presence of the acetonitrile functional group contributes to its reactivity and solubility properties. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its trifluoromethyl group often imparts significant lipophilicity, enhancing its potential biological activity and interaction with various targets. The chlorophenyl moiety can influence the compound's electronic properties, potentially affecting its reactivity and interaction with other molecules. Due to these characteristics, this compound may be of interest in pharmaceutical research, particularly in the development of agrochemicals or medicinal compounds. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks.

Formula: C₁₂H₇ClF₃N₃

InChI: InChI=1S/C12H7ClF3N3/c13-9-2-1-3-10(6-9)19-11(12(14,15)16)8(4-5-17)7-18-19/h1-3,6-7H,4H2

InChI key: InChIKey=HSJAFRHAAKLXGF-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N(N=CC1CC#N)C2=CC(Cl)=CC=C2

Synonyms:

• 1H-Pyrazole-4-acetonitrile, 1-(3-chlorophenyl)-5-(trifluoromethyl)-
• 1-(3-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-acetonitrile