ChemSpider 2D Image | Ethyl 6-{4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}nicotinate | C18H24ClN5O2

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

  • Molecular FormulaC18H24ClN5O2
  • Average mass377.868 Da
  • Monoisotopic mass377.161865 Da
  • ChemSpider ID29670254

More details:

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

3-Pyridinecarboxylic acid, 6-[4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl]-, ethyl ester [ACD/Index Name]
6-{4-[(5-Chloro-1,3-diméthyl-1H-pyrazol-4-yl)méthyl]-1-pipérazinyl}nicotinate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}nicotinate [ACD/IUPAC Name]
Ethyl-6-{4-[(5-chlor-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}nicotinat [German] [ACD/IUPAC Name]
ethyl 6-{4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}nicotinate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 527.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 273.1±30.1 °C
Index of Refraction: 1.624
Molar Refractivity: 102.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 5.24
ACD/KOC (pH 5.5): 59.87
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 45.60
ACD/KOC (pH 7.4): 521.33
Polar Surface Area: 63 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 289.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement