ChemSpider 2D Image | Ethyl 5-amino-1-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-1H-pyrazole-4-carboxylate | C18H20N6O3

Ethyl 5-amino-1-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-1H-pyrazole-4-carboxylate

  • Molecular FormulaC18H20N6O3
  • Average mass368.390 Da
  • Monoisotopic mass368.159698 Da
  • ChemSpider ID21128427

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-amino-1-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-, ethyl ester [ACD/Index Name]
5-Amino-1-[(5-amino-3-méthyl-1-phényl-1H-pyrazol-4-yl)carbonyl]-3-méthyl-1H-pyrazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-amino-1-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-1H-pyrazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-amino-1-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-1H-pyrazol-4-carboxylat [German] [ACD/IUPAC 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: 616.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.5±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 98.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.20
ACD/KOC (pH 5.5): 968.27
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.20
ACD/KOC (pH 7.4): 968.28
Polar Surface Area: 131 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 259.7±7.0 cm3

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