ChemSpider 2D Image | [4-Chloro-1-(3-chlorobenzyl)-5-phenyl-1H-pyrazol-3-yl][4-(2-pyrimidinyl)-1-piperazinyl]methanone | C25H22Cl2N6O

[4-Chloro-1-(3-chlorobenzyl)-5-phenyl-1H-pyrazol-3-yl][4-(2-pyrimidinyl)-1-piperazinyl]methanone

  • Molecular FormulaC25H22Cl2N6O
  • Average mass493.388 Da
  • Monoisotopic mass492.123230 Da
  • ChemSpider ID67551888

More details:

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

[4-Chlor-1-(3-chlorbenzyl)-5-phenyl-1H-pyrazol-3-yl][4-(2-pyrimidinyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[4-Chloro-1-(3-chlorobenzyl)-5-phenyl-1H-pyrazol-3-yl][4-(2-pyrimidinyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[4-Chloro-1-(3-chlorobenzyl)-5-phényl-1H-pyrazol-3-yl][4-(2-pyrimidinyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-chloro-1-[(3-chlorophenyl)methyl]-5-phenyl-1H-pyrazol-3-yl][4-(2-pyrimidinyl)-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: 730.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 395.7±35.7 °C
Index of Refraction: 1.694
Molar Refractivity: 136.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2087.87
ACD/KOC (pH 5.5): 7786.86
ACD/LogD (pH 7.4): 4.79
ACD/BCF (pH 7.4): 2579.65
ACD/KOC (pH 7.4): 9620.98
Polar Surface Area: 67 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 354.4±7.0 cm3

Click to predict properties on the Chemicalize site


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