ChemSpider 2D Image | N-{2-[(3-Cyano-2-pyridinyl)amino]ethyl}-1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide | C22H18FN7O

N-{2-[(3-Cyano-2-pyridinyl)amino]ethyl}-1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC22H18FN7O
  • Average mass415.423 Da
  • Monoisotopic mass415.155701 Da
  • ChemSpider ID70827511

More details:

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

1H-Pyrazole-4-carboxamide, N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)- [ACD/Index Name]
N-{2-[(3-Cyan-2-pyridinyl)amino]ethyl}-1-(4-fluorphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-{2-[(3-Cyano-2-pyridinyl)amino]ethyl}-1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-{2-[(3-Cyano-2-pyridinyl)amino]éthyl}-1-(4-fluorophényl)-5-(1H-pyrrol-1-yl)-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: 694.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.7±3.0 kJ/mol
Flash Point: 373.7±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.50
ACD/KOC (pH 5.5): 526.20
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.12
ACD/KOC (pH 7.4): 521.62
Polar Surface Area: 101 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 309.8±7.0 cm3

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