ChemSpider 2D Image | 3-{[3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-4,5-dimethoxybenzoic acid | C17H20N4O7

3-{[3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-4,5-dimethoxybenzoic acid

  • Molecular FormulaC17H20N4O7
  • Average mass392.363 Da
  • Monoisotopic mass392.133209 Da
  • ChemSpider ID53684704

More details:

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

3-{[3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-4,5-dimethoxybenzoesäure [German] [ACD/IUPAC Name]
3-{[3-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-4,5-dimethoxybenzoic acid [ACD/IUPAC Name]
Acide 3-{[3-(3,5-diméthyl-4-nitro-1H-pyrazol-1-yl)propanoyl]amino}-4,5-diméthoxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]amino]-4,5-dimethoxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.2±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 96.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 3.30
ACD/KOC (pH 5.5): 35.45
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 149 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 276.1±7.0 cm3

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