ChemSpider 2D Image | N-Benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide | C21H17ClN4O

N-Benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide

  • Molecular FormulaC21H17ClN4O
  • Average mass376.839 Da
  • Monoisotopic mass376.109100 Da
  • ChemSpider ID22376242

More details:






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

1H-Pyrrole-2-carboxamide, 4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-N-(phenylmethyl)- [ACD/Index Name]
1H-pyrrole-2-carboxamide, 4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-N-(phenylmethyl)-
N-Benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-Benzyl-4-[4-(3-chlorophényl)-1H-pyrazol-3-yl]-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
N-benzyl-4-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
N-Benzyl-4-[4-(3-chlorphenyl)-1H-pyrazol-3-yl]-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
33A
erk000092
N-benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
Pyrrole Carboxamide Analog 5g

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 670.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.0±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 105.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 1331.51
ACD/KOC (pH 5.5): 5996.90
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1332.33
ACD/KOC (pH 7.4): 6000.61
Polar Surface Area: 74 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 282.9±3.0 cm3

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