CAS 320425-05-6

2-[[[1,5-Dihydro-1-methyl-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-ylidene]methyl]amino]benzonitrile

Description:

2-[[[1,5-Dihydro-1-methyl-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-ylidene]methyl]amino]benzonitrile, with the CAS number 320425-05-6, is a chemical compound characterized by its complex structure, which includes a pyrazole ring and a benzonitrile moiety. The presence of a trifluoromethyl group enhances its lipophilicity and may influence its biological activity. This compound is likely to exhibit unique properties due to the combination of its functional groups, which can affect its reactivity, solubility, and potential applications in pharmaceuticals or agrochemicals. The pyrazole ring contributes to its potential as a bioactive molecule, while the benzonitrile part may provide additional stability and reactivity. As with many organic compounds, its characteristics such as melting point, boiling point, and solubility would depend on the specific conditions and purity of the sample. Safety data and handling precautions should be considered, as compounds with similar structures can exhibit varying degrees of toxicity and environmental impact.

Formula: C₁₃H₉F₃N₄O

InChI: InChI=1S/C13H9F3N4O/c1-20-12(21)9(11(19-20)13(14,15)16)7-18-10-5-3-2-4-8(10)6-17/h2-5,7,18H,1H3

InChI key: InChIKey=QNDXOONFGULMES-UHFFFAOYSA-N

SMILES: C(NC1=C(C#N)C=CC=C1)=C2C(C(F)(F)F)=NN(C)C2=O

Synonyms:

• Benzonitrile, 2-[[[1,5-dihydro-1-methyl-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-ylidene]methyl]amino]-
• 2-[[[1,5-Dihydro-1-methyl-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-ylidene]methyl]amino]benzonitrile