ChemSpider 2D Image | 4-{[{[3-Ethyl-5-(4-ethyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}(propyl)amino]methyl}phenol | C28H39N5O

4-{[{[3-Ethyl-5-(4-ethyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}(propyl)amino]methyl}phenol

  • Molecular FormulaC28H39N5O
  • Average mass461.642 Da
  • Monoisotopic mass461.315460 Da
  • ChemSpider ID22743545

More details:

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

4-{[{[3-Ethyl-5-(4-ethyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}(propyl)amino]methyl}phenol [ACD/IUPAC Name]
4-{[{[3-Ethyl-5-(4-ethyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl}(propyl)amino]methyl}phenol [German] [ACD/IUPAC Name]
4-{[{[3-Éthyl-5-(4-éthyl-1-pipérazinyl)-1-phényl-1H-pyrazol-4-yl]méthyl}(propyl)amino]méthyl}phénol [French] [ACD/IUPAC Name]
Phenol, 4-[[[[3-ethyl-5-(4-ethyl-1-piperazinyl)-1-phenyl-1H-pyrazol-4-yl]methyl]propylamino]methyl]- [ACD/Index 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: 606.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 320.4±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 108.46
ACD/KOC (pH 7.4): 438.44
Polar Surface Area: 48 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 411.4±7.0 cm3

Click to predict properties on the Chemicalize site


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