CAS 51412-01-2

7-hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-4H-chromen-4-one

Description:

7-Hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-4H-chromen-4-one, with the CAS number 51412-01-2, is a synthetic organic compound belonging to the class of flavonoids. This compound features a chromone backbone, which is characterized by a benzopyran structure, and is substituted with a hydroxyl group and a trifluoromethyl group, enhancing its chemical reactivity and potential biological activity. The presence of the phenyl-pyrazole moiety suggests potential applications in medicinal chemistry, particularly in the development of anti-inflammatory or anticancer agents. The trifluoromethyl group is known to increase lipophilicity, which can influence the compound's pharmacokinetics and bioavailability. Additionally, the hydroxyl group may contribute to hydrogen bonding interactions, affecting solubility and reactivity. Overall, this compound's unique structural features may provide a basis for further research into its biological properties and potential therapeutic applications.

Formula: C₁₉H₁₁F₃N₂O₃

InChI: InChI=1/C19H11F3N2O3/c20-19(21,22)18-16(17(26)14-7-6-13(25)8-15(14)27-18)11-9-23-24(10-11)12-4-2-1-3-5-12/h1-10,25H

InChI key: LIRNOHXQFVXONV-UHFFFAOYSA-N

SMILES: c1ccc(cc1)n1cc(cn1)c1c(=O)c2ccc(cc2oc1C(F)(F)F)O

Synonyms:

• 7-Hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-2-trifluoromethyl-chromen-4-one