ChemSpider 2D Image | 2-Methyl-2-propanyl 2-{[1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazol-4-yl]carbamoyl}-1-pyrrolidinecarboxylate | C19H30N4O4

2-Methyl-2-propanyl 2-{[1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazol-4-yl]carbamoyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC19H30N4O4
  • Average mass378.466 Da
  • Monoisotopic mass378.226715 Da
  • ChemSpider ID39178975

More details:

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

1-Pyrrolidinecarboxylic acid, 2-[[[1-[(tetrahydro-2H-pyran-4-yl)methyl]-1H-pyrazol-4-yl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-{[1-(Tétrahydro-2H-pyran-4-ylméthyl)-1H-pyrazol-4-yl]carbamoyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-{[1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazol-4-yl]carbamoyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-{[1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-pyrazol-4-yl]carbamoyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
1704494-16-5 [RN]
tert-butyl 2-((1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazol-4-yl)carbamoyl)pyrrolidine-1-carboxylate
tert-butyl 2-({1-[(oxan-4-yl)methyl]-1H-pyrazol-4-yl}carbamoyl)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: 580.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.6±27.3 °C
Index of Refraction: 1.602
Molar Refractivity: 100.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.75
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 14.70
ACD/KOC (pH 5.5): 238.35
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.71
ACD/KOC (pH 7.4): 238.44
Polar Surface Area: 86 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 47.8±7.0 dyne/cm
Molar Volume: 294.1±7.0 cm3

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