ChemSpider 2D Image | 2-{4-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazinyl}ethanol | C21H33N5O

2-{4-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazinyl}ethanol

  • Molecular FormulaC21H33N5O
  • Average mass371.520 Da
  • Monoisotopic mass371.268524 Da
  • ChemSpider ID22249767

More details:

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

2-{4-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazinyl}ethanol [ACD/IUPAC Name]
2-{4-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2-piperazinyl}ethanol [German] [ACD/IUPAC Name]
2-{4-[(1-Éthyl-3,5-diméthyl-1H-pyrazol-4-yl)méthyl]-1-[(6-méthyl-2-pyridinyl)méthyl]-2-pipérazinyl}éthanol [French] [ACD/IUPAC Name]
2-Piperazineethanol, 4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 262.0±28.7 °C
Index of Refraction: 1.601
Molar Refractivity: 109.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.41
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 86.67
Polar Surface Area: 57 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 320.6±7.0 cm3

Click to predict properties on the Chemicalize site


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