ChemSpider 2D Image | [(5R,7S)-3-Chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol | C15H15ClF3N3O

[(5R,7S)-3-Chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol

  • Molecular FormulaC15H15ClF3N3O
  • Average mass345.747 Da
  • Monoisotopic mass345.085571 Da
  • ChemSpider ID62667350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(5R,7S)-3-Chlor-5-(4-methylphenyl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol [German] [ACD/IUPAC Name]
[(5R,7S)-3-Chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol [ACD/IUPAC Name]
[(5R,7S)-3-Chloro-5-(4-méthylphényl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-2-yl]méthanol [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidine-2-methanol, 3-chloro-4,5,6,7-tetrahydro-5-(4-methylphenyl)-7-(trifluoromethyl)-, (5R,7S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 487.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 248.3±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 79.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 90.85
ACD/KOC (pH 5.5): 877.78
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.85
ACD/KOC (pH 7.4): 877.78
Polar Surface Area: 50 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 228.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement