ChemSpider 2D Image | 3-(2-Hydroxyethoxy)-1-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-4-carboxylic acid | C12H19N3O6

3-(2-Hydroxyethoxy)-1-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC12H19N3O6
  • Average mass301.296 Da
  • Monoisotopic mass301.127380 Da
  • ChemSpider ID71102647

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(2-hydroxyethoxy)-1-methyl- [ACD/Index Name]
3-(2-Hydroxyethoxy)-1-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
3-(2-Hydroxyethoxy)-1-methyl-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 3-(2-hydroxyéthoxy)-1-méthyl-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
2287335-54-8 [RN]
5-{[(tert-butoxy)carbonyl]amino}-3-(2-hydroxyethoxy)-1-methyl-1H-pyrazole-4-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 450.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 226.0±28.7 °C
Index of Refraction: 1.557
Molar Refractivity: 71.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 221.6±7.0 cm3

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