ChemSpider 2D Image | 2-Oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate | C23H25ClN6O3

2-Oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC23H25ClN6O3
  • Average mass468.936 Da
  • Monoisotopic mass468.167664 Da
  • ChemSpider ID22576352

More details:

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

1-(2-Chlorobenzyl)-3,5-diméthyl-1H-pyrazole-4-carboxylate de 2-oxo-2-[4-(2-pyrimidinyl)-1-pipérazinyl]éthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-[(2-chlorophenyl)methyl]-3,5-dimethyl-, 2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl ester [ACD/Index Name]
2-Oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl 1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
2-Oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl-1-(2-chlorbenzyl)-3,5-dimethyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.3±3.0 kJ/mol
Flash Point: 380.8±35.7 °C
Index of Refraction: 1.659
Molar Refractivity: 126.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 271.18
ACD/KOC (pH 5.5): 1810.68
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.42
ACD/KOC (pH 7.4): 2219.60
Polar Surface Area: 93 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 343.6±7.0 cm3

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