CAS 916766-95-5

1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

Description:

1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a methyl group at the 1-position and a phenoxy group at the 5-position contributes to its structural diversity and potential biological activity. The trifluoromethyl group at the 3-position enhances its lipophilicity and may influence its reactivity and interaction with biological targets. The carbonitrile functional group at the 4-position introduces a polar character, which can affect solubility and reactivity. This compound is of interest in medicinal chemistry and agrochemicals due to its potential applications in drug development and as a pesticide. Its unique combination of functional groups may impart specific pharmacological properties, making it a candidate for further research in various fields, including pharmaceuticals and material science. As with many chemical substances, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₂H₈F₃N₃O

InChI: InChI=1S/C12H8F3N3O/c1-18-11(19-8-5-3-2-4-6-8)9(7-16)10(17-18)12(13,14)15/h2-6H,1H3

InChI key: InChIKey=ZQYUDCLXYVFRDJ-UHFFFAOYSA-N

SMILES: O(C1=C(C#N)C(C(F)(F)F)=NN1C)C2=CC=CC=C2

Synonyms:

• 1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile
• 1H-Pyrazole-4-carbonitrile, 1-methyl-5-phenoxy-3-(trifluoromethyl)-