ChemSpider 2D Image | 1-Methyl-5-(1H-pyrrol-1-yl)-N-(3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propyl)-1H-pyrazole-4-carboxamide | C23H27F3N6O

1-Methyl-5-(1H-pyrrol-1-yl)-N-(3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC23H27F3N6O
  • Average mass460.495 Da
  • Monoisotopic mass460.219849 Da
  • ChemSpider ID31567393

More details:

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

1H-Pyrazole-4-carboxamide, 1-methyl-5-(1H-pyrrol-1-yl)-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propyl]- [ACD/Index Name]
1-Methyl-5-(1H-pyrrol-1-yl)-N-(3-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}propyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1-Methyl-5-(1H-pyrrol-1-yl)-N-(3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-Méthyl-5-(1H-pyrrol-1-yl)-N-(3-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}propyl)-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: 633.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.7±31.5 °C
Index of Refraction: 1.605
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 3.91
ACD/KOC (pH 5.5): 34.05
ACD/LogD (pH 7.4): 2.94
ACD/BCF (pH 7.4): 92.33
ACD/KOC (pH 7.4): 803.69
Polar Surface Area: 58 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 351.5±7.0 cm3

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