ChemSpider 2D Image | N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3,3-dimethyl-N-propylbutanamide | C26H41N5O

N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3,3-dimethyl-N-propylbutanamide

  • Molecular FormulaC26H41N5O
  • Average mass439.637 Da
  • Monoisotopic mass439.331116 Da
  • ChemSpider ID22759140

More details:

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

Butanamide, N-[[5-(4-ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl]-3,3-dimethyl-N-propyl- [ACD/Index Name]
N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3,3-dimethyl-N-propylbutanamid [German] [ACD/IUPAC Name]
N-{[5-(4-Ethyl-1-piperazinyl)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methyl}-3,3-dimethyl-N-propylbutanamide [ACD/IUPAC Name]
N-{[5-(4-Éthyl-1-pipérazinyl)-3-méthyl-1-phényl-1H-pyrazol-4-yl]méthyl}-3,3-diméthyl-N-propylbutanamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.6±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 5.56
ACD/KOC (pH 5.5): 24.44
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 349.14
ACD/KOC (pH 7.4): 1534.18
Polar Surface Area: 45 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 38.9±7.0 dyne/cm
Molar Volume: 410.6±7.0 cm3

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