4-[2-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
[CAS# 805239-56-9]

Identification

• Name: 4-[2-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
• Synonyms: [805239-56-9]; 4-(2-phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol; 4-(2-Phenyl-5,7-bis-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl)-phenol
• Molecular Formula: C₂₀H₁₁F₆N₃O
• Molecular Weight: 423.31
• CAS Registry Number: 805239-56-9
• SMILES: C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2C4=CC=C(C=C4)O)C(F)(F)F)C(F)(F)F
• InChI: 1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H
• InChIKey: AEZPAUSGTAHLOQ-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.584 (Cal.)
• solubility: Soluble to 33 mM in DMSO and to 100 mM in ethanol

References

• (1): Nettles et al.. NFB selectivity of estrogen receptor ligands revealed by comparative, Nature Chemical Biology, 2008