CAS 937601-61-1

4,5,6,7-Tetrahydro-3-(trifluoromethyl)-1H-indazole-1-propanenitrile

Description:

4,5,6,7-Tetrahydro-3-(trifluoromethyl)-1H-indazole-1-propanenitrile is a chemical compound characterized by its unique indazole structure, which features a bicyclic system containing a five-membered ring fused to a six-membered ring. The presence of a trifluoromethyl group (-CF3) enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry. The propanenitrile functional group (-C≡N) contributes to its reactivity and potential applications in organic synthesis. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in pharmaceuticals, particularly in the development of compounds targeting specific biological pathways. Additionally, the trifluoromethyl group is known to impart unique electronic properties, which can affect the compound's interaction with biological targets. Safety and handling precautions should be observed, as with many fluorinated compounds, due to potential toxicity and environmental concerns.

Formula: C₁₁H₁₂F₃N₃

InChI: InChI=1S/C11H12F3N3/c12-11(13,14)10-8-4-1-2-5-9(8)17(16-10)7-3-6-15/h1-5,7H2

InChI key: InChIKey=JHCGTSJCBNDFSM-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C2=C(N(CCC#N)N1)CCCC2

Synonyms:

• 1H-Indazole-1-propanenitrile, 4,5,6,7-tetrahydro-3-(trifluoromethyl)-
• 4,5,6,7-Tetrahydro-3-(trifluoromethyl)-1H-indazole-1-propanenitrile