ChemSpider 2D Image | 2-Methyl-2-propanyl 3-{methyl[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-1-pyrrolidinecarboxylate | C16H25N5O5

2-Methyl-2-propanyl 3-{methyl[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-1-pyrrolidinecarboxylate

  • Molecular FormulaC16H25N5O5
  • Average mass367.400 Da
  • Monoisotopic mass367.185577 Da
  • ChemSpider ID64894881

More details:

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

1-Pyrrolidinecarboxylic acid, 3-[methyl[3-(4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-{methyl[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-{methyl[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-{Méthyl[3-(4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
TERT-BUTYL 3-[N-METHYL-3-(4-NITRO-1H-PYRAZOL-1-YL)PROPANAMIDO]PYRROLIDINE-1-CARBOXYLATE
TERT-BUTYL 3-[N-METHYL-3-(4-NITROPYRAZOL-1-YL)PROPANAMIDO]PYRROLIDINE-1-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 94.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.73
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.75
ACD/KOC (pH 5.5): 150.77
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.75
ACD/KOC (pH 7.4): 150.77
Polar Surface Area: 113 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 278.5±7.0 cm3

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