ChemSpider 2D Image | N'-[(Z)-{2-[4-(1H-Imidazol-1-yl)butoxy]phenyl}methylene]-1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carbohydrazide | C21H22N10O4

N'-[(Z)-{2-[4-(1H-Imidazol-1-yl)butoxy]phenyl}methylene]-1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carbohydrazide

  • Molecular FormulaC21H22N10O4
  • Average mass478.464 Da
  • Monoisotopic mass478.182556 Da
  • ChemSpider ID103493863

  • 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-nitro-1H-1,2,4-triazol-1-yl)methyl]-, 2-[(1Z)-[2-[4-(1H-imidazol-1-yl)butoxy]phenyl]methylene]hydrazide [ACD/Index Name]
N'-[(Z)-{2-[4-(1H-Imidazol-1-yl)butoxy]phenyl}methylen]-1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazol-3-carbohydrazid [German] [ACD/IUPAC Name]
N'-[(Z)-{2-[4-(1H-Imidazol-1-yl)butoxy]phenyl}methylene]-1-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-1H-pyrazole-3-carbohydrazide [ACD/IUPAC Name]
N'-[(Z)-{2-[4-(1H-Imidazol-1-yl)butoxy]phényl}méthylène]-1-[(3-nitro-1H-1,2,4-triazol-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: 1.709
Molar Refractivity: 127.2±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.82
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 39.83
Polar Surface Area: 163 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 68.4±7.0 dyne/cm
Molar Volume: 325.9±7.0 cm3

Click to predict properties on the Chemicalize site


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