ChemSpider 2D Image | N-[1-(4-Bromobenzyl)-1H-pyrazol-5-yl]-2-phenyl-5-pyrimidinecarboxamide | C21H16BrN5O

N-[1-(4-Bromobenzyl)-1H-pyrazol-5-yl]-2-phenyl-5-pyrimidinecarboxamide

  • Molecular FormulaC21H16BrN5O
  • Average mass434.289 Da
  • Monoisotopic mass433.053802 Da
  • ChemSpider ID31908679

More details:

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

5-Pyrimidinecarboxamide, N-[1-[(4-bromophenyl)methyl]-1H-pyrazol-5-yl]-2-phenyl- [ACD/Index Name]
N-[1-(4-Brombenzyl)-1H-pyrazol-5-yl]-2-phenyl-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-[1-(4-Bromobenzyl)-1H-pyrazol-5-yl]-2-phenyl-5-pyrimidinecarboxamide [ACD/IUPAC Name]
N-[1-(4-Bromobenzyl)-1H-pyrazol-5-yl]-2-phényl-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 489.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 249.8±28.7 °C
Index of Refraction: 1.695
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 350.29
ACD/KOC (pH 5.5): 2306.18
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.25
ACD/KOC (pH 7.4): 2305.89
Polar Surface Area: 73 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 295.9±7.0 cm3

Click to predict properties on the Chemicalize site


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