ChemSpider 2D Image | {1-[3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]-4-methoxy-2-pyrrolidinyl}acetic acid | C15H22N4O6

{1-[3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]-4-methoxy-2-pyrrolidinyl}acetic acid

  • Molecular FormulaC15H22N4O6
  • Average mass354.358 Da
  • Monoisotopic mass354.153931 Da
  • ChemSpider ID64172083

More details:

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

{1-[3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]-4-methoxy-2-pyrrolidinyl}acetic acid [ACD/IUPAC Name]
{1-[3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]-4-methoxy-2-pyrrolidinyl}essigsäure [German] [ACD/IUPAC Name]
2-Pyrrolidineacetic acid, 1-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]-4-methoxy- [ACD/Index Name]
Acide {1-[3-(3,5-diméthyl-4-nitro-1H-pyrazol-1-yl)propanoyl]-4-méthoxy-2-pyrrolidinyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 309.8±30.1 °C
Index of Refraction: 1.627
Molar Refractivity: 86.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.05
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 244.4±7.0 cm3

Click to predict properties on the Chemicalize site


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