ChemSpider 2D Image | 5-Methyl-N-{3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl}-1-(2-pyridinyl)-1H-pyrazole-4-carboxamide | C27H23N7O

5-Methyl-N-{3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl}-1-(2-pyridinyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC27H23N7O
  • Average mass461.518 Da
  • Monoisotopic mass461.196411 Da
  • ChemSpider ID34847044

More details:

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

1H-Pyrazole-4-carboxamide, 5-methyl-N-[3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl]-1-(2-pyridinyl)- [ACD/Index Name]
5-Methyl-N-{3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl}-1-(2-pyridinyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Methyl-N-{3-[(2-methyl-6-phenyl-4-pyrimidinyl)amino]phenyl}-1-(2-pyridinyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
5-Méthyl-N-{3-[(2-méthyl-6-phényl-4-pyrimidinyl)amino]phényl}-1-(2-pyridinyl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.9±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 634.47
ACD/KOC (pH 5.5): 2653.69
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1691.72
ACD/KOC (pH 7.4): 7075.69
Polar Surface Area: 98 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 358.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement