ChemSpider 2D Image | Methyl 3-(2-hydroxyethoxy)-5-[(2-isobutoxypropanoyl)amino]-1H-pyrazole-4-carboxylate | C14H23N3O6

Methyl 3-(2-hydroxyethoxy)-5-[(2-isobutoxypropanoyl)amino]-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H23N3O6
  • Average mass329.349 Da
  • Monoisotopic mass329.158691 Da
  • ChemSpider ID65225763

More details:






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

1H-Pyrazole-4-carboxylic acid, 3-(2-hydroxyethoxy)-5-[[2-(2-methylpropoxy)-1-oxopropyl]amino]-, methyl ester [ACD/Index Name]
3-(2-Hydroxyéthoxy)-5-[(2-isobutoxypropanoyl)amino]-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(2-hydroxyethoxy)-5-[(2-isobutoxypropanoyl)amino]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-3-(2-hydroxyethoxy)-5-[(2-isobutoxypropanoyl)amino]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 581.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 305.6±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 82.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 4.17
ACD/KOC (pH 5.5): 96.65
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.09
ACD/KOC (pH 7.4): 94.90
Polar Surface Area: 123 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 259.6±3.0 cm3

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