ChemSpider 2D Image | 1-(2-{[(5-Chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl](methyl)amino}ethyl)-2-piperidinone | C15H25ClN4O

1-(2-{[(5-Chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl](methyl)amino}ethyl)-2-piperidinone

  • Molecular FormulaC15H25ClN4O
  • Average mass312.838 Da
  • Monoisotopic mass312.171692 Da
  • ChemSpider ID32065267

More details:






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

1-(2-{[(5-Chlor-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl](methyl)amino}ethyl)-2-piperidinon [German] [ACD/IUPAC Name]
1-(2-{[(5-Chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl](methyl)amino}ethyl)-2-piperidinone [ACD/IUPAC Name]
1-(2-{[(5-Chloro-3-éthyl-1-méthyl-1H-pyrazol-4-yl)méthyl](méthyl)amino}éthyl)-2-pipéridinone [French] [ACD/IUPAC Name]
2-Piperidinone, 1-[2-[[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl]methylamino]ethyl]- [ACD/Index Name]
1-(2-{[(5-CHLORO-3-ETHYL-1-METHYL-1H-PYRAZOL-4-YL)METHYL](METHYL)AMINO}ETHYL)PIPERIDIN-2-ONE
1-(2-{[(5-CHLORO-3-ETHYL-1-METHYLPYRAZOL-4-YL)METHYL](METHYL)AMINO}ETHYL)PIPERIDIN-2-ONE
1-{2-[[(5-chloro-3-ethyl-1-methyl-1H-pyrazol-4-yl)methyl](methyl)amino]ethyl}piperidin-2-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 446.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.5±3.0 kJ/mol
Flash Point: 223.9±28.7 °C
Index of Refraction: 1.584
Molar Refractivity: 86.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 19.46
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 25.15
ACD/KOC (pH 7.4): 327.89
Polar Surface Area: 41 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 258.2±7.0 cm3

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