ChemSpider 2D Image | 2-(2-Cyclopenten-1-yl)-1-{2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}ethanone | C19H25F3N4O

2-(2-Cyclopenten-1-yl)-1-{2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}ethanone

  • Molecular FormulaC19H25F3N4O
  • Average mass382.423 Da
  • Monoisotopic mass382.198059 Da
  • ChemSpider ID24986184

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2-(2-Cyclopenten-1-yl)-1-{2-[(5R,7R)-5-methyl-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}ethanon [German] [ACD/IUPAC Name]
2-(2-Cyclopenten-1-yl)-1-{2-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}ethanone [ACD/IUPAC Name]
2-(2-Cyclopentén-1-yl)-1-{2-[(5R,7R)-5-méthyl-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(2-cyclopenten-1-yl)-1-[2-[(5R,7R)-4,5,6,7-tetrahydro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 531.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 94.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.97
ACD/KOC (pH 5.5): 1031.34
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.39
ACD/KOC (pH 7.4): 1035.15
Polar Surface Area: 50 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 265.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement