ChemSpider 2D Image | {2-[(5R,7R)-5-Ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}(5-methyl-2-pyrazinyl)methanone | C19H23F3N6O

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

  • Molecular FormulaC19H23F3N6O
  • Average mass408.421 Da
  • Monoisotopic mass408.188538 Da
  • ChemSpider ID24986122

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

{2-[(5R,7R)-5-Ethyl-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}(5-methyl-2-pyrazinyl)methanon [German] [ACD/IUPAC Name]
{2-[(5R,7R)-5-Ethyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}(5-methyl-2-pyrazinyl)methanone [ACD/IUPAC Name]
{2-[(5R,7R)-5-Éthyl-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl}(5-méthyl-2-pyrazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2-[(5R,7R)-5-ethyl-4,5,6,7-tetrahydro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-1-pyrrolidinyl](5-methyl-2-pyrazinyl)- [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: 571.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.2±30.1 °C
Index of Refraction: 1.655
Molar Refractivity: 100.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.29
ACD/KOC (pH 5.5): 289.42
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.32
ACD/KOC (pH 7.4): 289.85
Polar Surface Area: 76 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 274.3±7.0 cm3

Click to predict properties on the Chemicalize site


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