ChemSpider 2D Image | 1-(2,4-Difluorophenyl)-N-[1-(3-methoxypropyl)-4-piperidinyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide | C21H28F2N4O2

1-(2,4-Difluorophenyl)-N-[1-(3-methoxypropyl)-4-piperidinyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID30191147

More details:

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

1-(2,4-Difluorophenyl)-N-[1-(3-methoxypropyl)-4-piperidinyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
1-(2,4-Difluorophényl)-N-[1-(3-méthoxypropyl)-4-pipéridinyl]-3,5-diméthyl-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]
1-(2,4-Difluorphenyl)-N-[1-(3-methoxypropyl)-4-piperidinyl]-3,5-dimethyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxamide, 1-(2,4-difluorophenyl)-N-[1-(3-methoxypropyl)-4-piperidinyl]-3,5-dimethyl- [ACD/Index 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: 511.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.2±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.41
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.10
Polar Surface Area: 59 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 39.8±7.0 dyne/cm
Molar Volume: 322.9±7.0 cm3

Click to predict properties on the Chemicalize site


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