ChemSpider 2D Image | [(5R,7S)-5-(1,3-Benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(diphenylmethyl)-1-piperazinyl]methanone | C32H30F3N5O3

[(5R,7S)-5-(1,3-Benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(diphenylmethyl)-1-piperazinyl]methanone

  • Molecular FormulaC32H30F3N5O3
  • Average mass589.607 Da
  • Monoisotopic mass589.230103 Da
  • ChemSpider ID62471543

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(5R,7S)-5-(1,3-Benzodioxol-5-yl)-7-(trifluormethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(diphenylmethyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[(5R,7S)-5-(1,3-Benzodioxol-5-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(diphenylmethyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[(5R,7S)-5-(1,3-Benzodioxol-5-yl)-7-(trifluorométhyl)-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(diphénylméthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [(5R,7S)-5-(1,3-benzodioxol-5-yl)-4,5,6,7-tetrahydro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl][4-(diphenylmethyl)-1-piperazinyl]- [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: 706.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 153.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.97
ACD/LogD (pH 5.5): 4.34
ACD/BCF (pH 5.5): 1064.26
ACD/KOC (pH 5.5): 4579.50
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1555.15
ACD/KOC (pH 7.4): 6691.75
Polar Surface Area: 72 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 413.2±7.0 cm3

Click to predict properties on the Chemicalize site


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