CAS 1203661-45-3

1,5,6,7-Tetrahydro-1-[3-(trifluoromethyl)phenyl]-4H-indazol-4-one

Description:

1,5,6,7-Tetrahydro-1-[3-(trifluoromethyl)phenyl]-4H-indazol-4-one is a chemical compound characterized by its indazole core, which is a bicyclic structure containing both a five-membered and a six-membered ring. The presence of a trifluoromethyl group on the phenyl ring significantly influences its chemical properties, enhancing lipophilicity and potentially affecting its biological activity. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the indazole moiety's known bioactivity. The trifluoromethyl group can also contribute to the compound's stability and reactivity, making it a subject of interest in various chemical reactions. As with many indazole derivatives, it may exhibit a range of biological activities, including anti-inflammatory or anticancer properties, although specific biological data would need to be referenced for detailed insights. Safety and handling precautions should be observed, as with all chemical substances, due to potential toxicity or reactivity.

Formula: C₁₄H₁₁F₃N₂O

InChI: InChI=1S/C14H11F3N2O/c15-14(16,17)9-3-1-4-10(7-9)19-12-5-2-6-13(20)11(12)8-18-19/h1,3-4,7-8H,2,5-6H2

InChI key: InChIKey=AJBZIJUVDWSCPH-UHFFFAOYSA-N

SMILES: O=C1C2=C(N(N=C2)C3=CC(C(F)(F)F)=CC=C3)CCC1

Synonyms:

• 4H-Indazol-4-one, 1,5,6,7-tetrahydro-1-[3-(trifluoromethyl)phenyl]-
• 1,5,6,7-Tetrahydro-1-[3-(trifluoromethyl)phenyl]-4H-indazol-4-one