ChemSpider 2D Image | 5-(3,4-Difluorophenyl)-N-{2-methyl-1-oxo-1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-2-propanyl}-1H-pyrazole-3-carboxamide | C28H33F2N5O5

5-(3,4-Difluorophenyl)-N-{2-methyl-1-oxo-1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-2-propanyl}-1H-pyrazole-3-carboxamide

  • Molecular FormulaC28H33F2N5O5
  • Average mass557.589 Da
  • Monoisotopic mass557.244995 Da
  • ChemSpider ID121758376

More details:

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

1H-Pyrazole-3-carboxamide, 5-(3,4-difluorophenyl)-N-[1,1-dimethyl-2-oxo-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
5-(3,4-Difluorophenyl)-N-{2-methyl-1-oxo-1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-2-propanyl}-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
5-(3,4-Difluorophényl)-N-{2-méthyl-1-oxo-1-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]-2-propanyl}-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
5-(3,4-Difluorphenyl)-N-{2-methyl-1-oxo-1-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]-2-propanyl}-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.6±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 14.05
ACD/KOC (pH 5.5): 206.06
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 6.08
ACD/KOC (pH 7.4): 89.24
Polar Surface Area: 109 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 433.2±3.0 cm3

Click to predict properties on the Chemicalize site


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