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

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

  • Molecular FormulaC26H41N5O
  • Average mass439.637 Da
  • Monoisotopic mass439.331116 Da
  • ChemSpider ID22742622

More details:

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

Butanamide, 3,3-dimethyl-N-[[3-methyl-5-(4-methyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl]-N-(2-methylpropyl)- [ACD/Index Name]
N-Isobutyl-3,3-dimethyl-N-{[3-methyl-5-(4-methyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}butanamid [German] [ACD/IUPAC Name]
N-Isobutyl-3,3-dimethyl-N-{[3-methyl-5-(4-methyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}butanamide [ACD/IUPAC Name]
N-Isobutyl-3,3-diméthyl-N-{[3-méthyl-5-(4-méthyl-1-pipérazinyl)-1-phényl-1H-pyrazol-4-yl]méthyl}butanamide [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: 587.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.566
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 3.81
ACD/KOC (pH 5.5): 20.38
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 216.58
ACD/KOC (pH 7.4): 1159.96
Polar Surface Area: 45 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 38.1±7.0 dyne/cm
Molar Volume: 409.7±7.0 cm3

Click to predict properties on the Chemicalize site


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