ChemSpider 2D Image | Methyl 1-(2-methyl-2-propanyl)-5-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-pyrazole-4-carboxylate | C16H27N3O4

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

  • Molecular FormulaC16H27N3O4
  • Average mass325.403 Da
  • Monoisotopic mass325.200165 Da
  • ChemSpider ID29304849

More details:

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

1-(2-Méthyl-2-propanyl)-5-[2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1H-pyrazole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 5-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-1-(1,1-dimethylethyl)-, methyl ester [ACD/Index Name]
Methyl 1-(2-methyl-2-propanyl)-5-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Methyl-1-(2-methyl-2-propanyl)-5-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC Name]
1188338-58-0 [RN]
5-(2-tert-Butoxycarbonylamino-ethyl)-1-tert-butyl-1H-pyrazole-4-carboxylic acid methyl ester
methyl 5-(2-((tert-butoxycarbonyl)amino)ethyl)-1-(tert-butyl)-1H-pyrazole-4-carboxylate
METHYL 5-(2-{[(TERT-BUTOXY)CARBONYL]AMINO}ETHYL)-1-TERT-BUTYL-1H-PYRAZOLE-4-CARBOXYLATE
METHYL 5-{2-[(TERT-BUTOXYCARBONYL)AMINO]ETHYL}-1-TERT-BUTYLPYRAZOLE-4-CARBOXYLATE
MFCD24386162

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

Density: 1.1±0.1 g/cm3
Boiling Point: 461.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 232.8±27.3 °C
Index of Refraction: 1.511
Molar Refractivity: 88.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.88
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 109.46
ACD/KOC (pH 5.5): 1003.03
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 109.46
ACD/KOC (pH 7.4): 1003.03
Polar Surface Area: 82 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 35.5±7.0 dyne/cm
Molar Volume: 294.1±7.0 cm3

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