ChemSpider 2D Image | 2-(4-{[1-(2,5-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1-piperazinyl)pyrimidine | C26H28N6

2-(4-{[1-(2,5-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1-piperazinyl)pyrimidine

  • Molecular FormulaC26H28N6
  • Average mass424.541 Da
  • Monoisotopic mass424.237549 Da
  • ChemSpider ID22158098

More details:

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

2-(4-{[1-(2,5-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1-piperazinyl)pyrimidin [German] [ACD/IUPAC Name]
2-(4-{[1-(2,5-Dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl}-1-piperazinyl)pyrimidine [ACD/IUPAC Name]
2-(4-{[1-(2,5-Diméthylphényl)-3-phényl-1H-pyrazol-4-yl]méthyl}-1-pipérazinyl)pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-[4-[[1-(2,5-dimethylphenyl)-3-phenyl-1H-pyrazol-4-yl]methyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.2±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1078.11
ACD/KOC (pH 5.5): 3646.53
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3546.37
ACD/KOC (pH 7.4): 11995.01
Polar Surface Area: 50 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 353.0±7.0 cm3

Click to predict properties on the Chemicalize site


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