ChemSpider 2D Image | 3-(4-Fluorophenyl)-N-(octahydro-2H-quinolizin-1-ylmethyl)-1H-pyrazole-4-carboxamide | C20H25FN4O

3-(4-Fluorophenyl)-N-(octahydro-2H-quinolizin-1-ylmethyl)-1H-pyrazole-4-carboxamide

  • Molecular FormulaC20H25FN4O
  • Average mass356.437 Da
  • Monoisotopic mass356.201233 Da
  • ChemSpider ID64860103

More details:






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

1H-Pyrazole-4-carboxamide, 3-(4-fluorophenyl)-N-[(octahydro-2H-quinolizin-1-yl)methyl]- [ACD/Index Name]
3-(4-Fluorophenyl)-N-(octahydro-2H-quinolizin-1-ylmethyl)-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
3-(4-Fluorophényl)-N-(octahydro-2H-quinolizin-1-ylméthyl)-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
3-(4-Fluorphenyl)-N-(octahydro-2H-chinolizin-1-ylmethyl)-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
2062159-72-0 [RN]
C20H25FN4O
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.5±27.3 °C
Index of Refraction: 1.612
Molar Refractivity: 97.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): -0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.77
Polar Surface Area: 61 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 281.1±5.0 cm3

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