ChemSpider 2D Image | 4-[1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(4-phenoxyphenyl)-2-pyrimidinamine | C26H20ClN5O

4-[1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(4-phenoxyphenyl)-2-pyrimidinamine

  • Molecular FormulaC26H20ClN5O
  • Average mass453.923 Da
  • Monoisotopic mass453.135651 Da
  • ChemSpider ID28628420

More details:

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

2-Pyrimidinamine, 4-[1-(4-chlorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(4-phenoxyphenyl)- [ACD/Index Name]
4-[1-(4-Chlorophenyl)-3-methyl-1H-pyrazol-4-yl]-N-(4-phenoxyphenyl)-2-pyrimidinamine [ACD/IUPAC Name]
4-[1-(4-Chlorophényl)-3-méthyl-1H-pyrazol-4-yl]-N-(4-phénoxyphényl)-2-pyrimidinamine [French] [ACD/IUPAC Name]
4-[1-(4-Chlorphenyl)-3-methyl-1H-pyrazol-4-yl]-N-(4-phenoxyphenyl)-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-[1-(4-CHLOROPHENYL)-3-METHYL-1H-PYRAZOL-4-YL]-N-(4-PHENOXYPHENYL)PYRIMIDIN-2-AMINE
4-[1-(4-CHLOROPHENYL)-3-METHYLPYRAZOL-4-YL]-N-(4-PHENOXYPHENYL)PYRIMIDIN-2-AMINE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 634.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.3±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 28202.64
ACD/KOC (pH 5.5): 53331.59
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 28229.19
ACD/KOC (pH 7.4): 53381.79
Polar Surface Area: 65 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 352.7±7.0 cm3

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