ChemSpider 2D Image | N'-[(Z)-(1,3-Dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylene]-1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carbohydrazide | C20H21N9O4

N'-[(Z)-(1,3-Dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylene]-1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carbohydrazide

  • Molecular FormulaC20H21N9O4
  • Average mass451.439 Da
  • Monoisotopic mass451.171661 Da
  • ChemSpider ID103664329

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazole-3-carboxylic acid, 1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-, 2-[(1Z)-(2,3-dihydro-1,3-dimethyl-6-nitro-2-oxo-1H-benzimidazol-5-yl)methylene]hydrazide [ACD/Index Name]
N'-[(Z)-(1,3-Dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylen]-1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazol-3-carbohydrazid [German] [ACD/IUPAC Name]
N'-[(Z)-(1,3-Dimethyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)methylene]-1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1H-pyrazole-3-carbohydrazide [ACD/IUPAC Name]
N'-[(Z)-(1,3-Diméthyl-6-nitro-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)méthylène]-1-[(3,5-diméthyl-1H-pyrazol-1-yl)méthyl]-1H-pyrazole-3-carbohydrazide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.730
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 105.22
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.70
ACD/KOC (pH 7.4): 105.32
Polar Surface Area: 146 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 65.5±7.0 dyne/cm
Molar Volume: 298.6±7.0 cm3

Click to predict properties on the Chemicalize site


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