ChemSpider 2D Image | Methyl 1-(2-methyl-2-propanyl)-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-4-carboxylate | C14H23N3O4

Methyl 1-(2-methyl-2-propanyl)-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-4-carboxylate

  • Molecular FormulaC14H23N3O4
  • Average mass297.350 Da
  • Monoisotopic mass297.168854 Da
  • ChemSpider ID52082320

More details:

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

1-(2-Méthyl-2-propanyl)-5-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(1,1-dimethylethyl)-, methyl ester [ACD/Index Name]
Methyl 1-(2-methyl-2-propanyl)-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-(2-methyl-2-propanyl)-5-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
2088945-19-9 [RN]
5-tert-Butoxycarbonylamino-1-tert-butyl-1H-pyrazole-4-carboxylic acid methyl ester
atoms 21 bonds 21
METHYL 5-[(TERT-BUTOXYCARBONYL)AMINO]-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE
METHYL 5-{[(TERT-BUTOXY)CARBONYL]AMINO}-1-TERT-BUTYL-1H-PYRAZOLE-4-CARBOXYLATE
MFCD29918643

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

Density: 1.1±0.1 g/cm3
Boiling Point: 368.4±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 176.6±23.7 °C
Index of Refraction: 1.514
Molar Refractivity: 78.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 436.13
ACD/KOC (pH 5.5): 2697.97
ACD/LogD (pH 7.4): 3.78
ACD/BCF (pH 7.4): 436.13
ACD/KOC (pH 7.4): 2697.97
Polar Surface Area: 82 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 35.8±7.0 dyne/cm
Molar Volume: 261.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement