ChemSpider 2D Image | N-{[4-(1,3-Benzodioxol-5-yl)tetrahydro-2H-pyran-4-yl]methyl}-5-chloro-1-(4-fluorobenzyl)-3-methyl-1H-pyrazole-4-carboxamide | C25H25ClFN3O4

N-{[4-(1,3-Benzodioxol-5-yl)tetrahydro-2H-pyran-4-yl]methyl}-5-chloro-1-(4-fluorobenzyl)-3-methyl-1H-pyrazole-4-carboxamide

  • Molecular FormulaC25H25ClFN3O4
  • Average mass485.935 Da
  • Monoisotopic mass485.151764 Da
  • ChemSpider ID70923534

More details:

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

1H-Pyrazole-4-carboxamide, N-[[4-(1,3-benzodioxol-5-yl)tetrahydro-2H-pyran-4-yl]methyl]-5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl- [ACD/Index Name]
N-{[4-(1,3-Benzodioxol-5-yl)tetrahydro-2H-pyran-4-yl]methyl}-5-chlor-1-(4-fluorbenzyl)-3-methyl-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
N-{[4-(1,3-Benzodioxol-5-yl)tetrahydro-2H-pyran-4-yl]methyl}-5-chloro-1-(4-fluorobenzyl)-3-methyl-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
N-{[4-(1,3-Benzodioxol-5-yl)tétrahydro-2H-pyran-4-yl]méthyl}-5-chloro-1-(4-fluorobenzyl)-3-méthyl-1H-pyrazole-4-carboxamide [French] [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: 639.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.4±3.0 kJ/mol
Flash Point: 340.4±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 124.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 736.42
ACD/KOC (pH 5.5): 3925.46
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 736.42
ACD/KOC (pH 7.4): 3925.46
Polar Surface Area: 75 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 49.9±7.0 dyne/cm
Molar Volume: 345.7±7.0 cm3

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