ChemSpider 2D Image | 5-(5-Fluoro-2-methoxyphenyl)-N-{3-(4-fluorophenyl)-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]-2-propanyl}-1-methyl-1H-pyrazole-3-carboxamide | C30H30F2N6O3

5-(5-Fluoro-2-methoxyphenyl)-N-{3-(4-fluorophenyl)-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]-2-propanyl}-1-methyl-1H-pyrazole-3-carboxamide

  • Molecular FormulaC30H30F2N6O3
  • Average mass560.594 Da
  • Monoisotopic mass560.234741 Da
  • ChemSpider ID121722479

More details:

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

1H-Pyrazole-3-carboxamide, 5-(5-fluoro-2-methoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]-2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-methyl- [ACD/Index Name]
5-(5-Fluor-2-methoxyphenyl)-N-{3-(4-fluorphenyl)-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]-2-propanyl}-1-methyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
5-(5-Fluoro-2-methoxyphenyl)-N-{3-(4-fluorophenyl)-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]-2-propanyl}-1-methyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
5-(5-Fluoro-2-méthoxyphényl)-N-{3-(4-fluorophényl)-1-oxo-1-[4-(2-pyridinyl)-1-pipérazinyl]-2-propanyl}-1-méthyl-1H-pyrazole-3-carboxamide [French] [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: 781.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 426.7±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 151.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.03
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 9.77
ACD/KOC (pH 7.4): 83.40
Polar Surface Area: 93 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 423.7±7.0 cm3

Click to predict properties on the Chemicalize site


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