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

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

  • Molecular FormulaC32H30F3N5O3
  • Average mass589.607 Da
  • Monoisotopic mass589.230103 Da
  • ChemSpider ID4504569

More details:

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

[5-(1,3-Benzodioxol-5-yl)-7-(trifluormethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(diphenylmethyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[5-(1,3-Benzodioxol-5-yl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(diphenylmethyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[5-(1,3-Benzodioxol-5-yl)-7-(trifluorométhyl)-1,5,6,7-tétrahydropyrazolo[1,5-a]pyrimidin-3-yl][4-(diphénylméthyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [5-(1,3-benzodioxol-5-yl)-1,5,6,7-tetrahydro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl][4-(diphenylmethyl)-1-piperazinyl]- [ACD/Index Name]

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

BIM-0002115.P001 [DBID]
CBMicro_002109 [DBID]
ChemDiv1_004162 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 676.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.0±34.3 °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: 4.03
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 9.70
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 26.63
Polar Surface Area: 70 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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