ChemSpider 2D Image | 3-Cyclohexen-1-yl{3-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}methanone | C19H25F3N4O

3-Cyclohexen-1-yl{3-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}methanone

  • Molecular FormulaC19H25F3N4O
  • Average mass382.423 Da
  • Monoisotopic mass382.198059 Da
  • ChemSpider ID24990421

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

3-Cyclohexen-1-yl{3-[(5R,7R)-5-methyl-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}methanon [German] [ACD/IUPAC Name]
3-Cyclohexen-1-yl{3-[(5R,7R)-5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}methanone [ACD/IUPAC Name]
3-Cyclohexén-1-yl{3-[(5R,7R)-5-méthyl-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, 3-cyclohexen-1-yl[3-[(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: 531.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.4±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: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 121.33
ACD/KOC (pH 5.5): 1077.53
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.18
ACD/KOC (pH 7.4): 1085.12
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


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