ChemSpider 2D Image | 2-{1-(3,5-Dimethoxybenzyl)-4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol | C23H36N4O3

2-{1-(3,5-Dimethoxybenzyl)-4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol

  • Molecular FormulaC23H36N4O3
  • Average mass416.557 Da
  • Monoisotopic mass416.278748 Da
  • ChemSpider ID22227915

More details:

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

2-{1-(3,5-Dimethoxybenzyl)-4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol [ACD/IUPAC Name]
2-{1-(3,5-Dimethoxybenzyl)-4-[(5-isobutyl-1H-pyrazol-3-yl)methyl]-2-piperazinyl}ethanol [German] [ACD/IUPAC Name]
2-{1-(3,5-Diméthoxybenzyl)-4-[(5-isobutyl-1H-pyrazol-3-yl)méthyl]-2-pipérazinyl}éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]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: 586.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.7±28.7 °C
Index of Refraction: 1.566
Molar Refractivity: 119.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 4.25
ACD/KOC (pH 5.5): 52.41
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 34.87
ACD/KOC (pH 7.4): 430.37
Polar Surface Area: 74 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 366.0±3.0 cm3

Click to predict properties on the Chemicalize site


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