ChemSpider 2D Image | 5-[(2-Fluorophenoxy)methyl]-N-[1-hydroxy-2-(hydroxymethyl)-2-butanyl]-1H-pyrazole-3-carboxamide | C16H20FN3O4

5-[(2-Fluorophenoxy)methyl]-N-[1-hydroxy-2-(hydroxymethyl)-2-butanyl]-1H-pyrazole-3-carboxamide

  • Molecular FormulaC16H20FN3O4
  • Average mass337.346 Da
  • Monoisotopic mass337.143799 Da
  • ChemSpider ID29569909

More details:

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

1H-Pyrazole-3-carboxamide, N-[1,1-bis(hydroxymethyl)propyl]-5-[(2-fluorophenoxy)methyl]- [ACD/Index Name]
5-[(2-Fluorophenoxy)methyl]-N-[1-hydroxy-2-(hydroxymethyl)-2-butanyl]-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
5-[(2-Fluorophénoxy)méthyl]-N-[1-hydroxy-2-(hydroxyméthyl)-2-butanyl]-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
5-[(2-Fluorphenoxy)methyl]-N-[1-hydroxy-2-(hydroxymethyl)-2-butanyl]-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[1,1-bis(hydroxymethyl)propyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 350.6±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 85.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 51.55
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.73
ACD/KOC (pH 7.4): 51.54
Polar Surface Area: 107 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 59.4±3.0 dyne/cm
Molar Volume: 251.3±3.0 cm3

Click to predict properties on the Chemicalize site


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