ChemSpider 2D Image | N-[(1S)-2-Hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-1H-pyrrole-2-carboxamide | C23H19F3N4O2

N-[(1S)-2-Hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-1H-pyrrole-2-carboxamide

  • Molecular FormulaC23H19F3N4O2
  • Average mass440.418 Da
  • Monoisotopic mass440.145996 Da
  • ChemSpider ID34949056

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]- [ACD/Index Name]
N-[(1S)-2-Hydroxy-1-phenylethyl]-4-{4-[3-(trifluormethyl)phenyl]-1H-pyrazol-3-yl}-1H-pyrrol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(1S)-2-Hydroxy-1-phenylethyl]-4-{4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}-1H-pyrrole-2-carboxamide [ACD/IUPAC Name]
N-[(1S)-2-Hydroxy-1-phényléthyl]-4-{4-[3-(trifluorométhyl)phényl]-1H-pyrazol-3-yl}-1H-pyrrole-2-carboxamide [French] [ACD/IUPAC Name]
N-[(1s)-2-Hydroxy-1-Phenylethyl]-4-{4-[3-(Trifluoromethyl)phenyl]-1h-Pyrazol-5-Yl}-1h-Pyrrole-2-Carboxamide
erk000184

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

Density: 1.4±0.1 g/cm3
Boiling Point: 691.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.7±31.5 °C
Index of Refraction: 1.617
Molar Refractivity: 111.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.54
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 723.62
ACD/KOC (pH 5.5): 3875.93
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 723.98
ACD/KOC (pH 7.4): 3877.86
Polar Surface Area: 94 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 319.2±3.0 cm3

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