ChemSpider 2D Image | N-{3-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}hydrazinecarbothioamide | C20H21F3N8O3S

N-{3-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}hydrazinecarbothioamide

  • Molecular FormulaC20H21F3N8O3S
  • Average mass510.493 Da
  • Monoisotopic mass510.140930 Da
  • ChemSpider ID102331583

More details:

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

Benzoic acid, 4-[(4-nitro-1H-pyrazol-1-yl)methyl]-, 2-[[[3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl]amino]thioxomethyl]hydrazide [ACD/Index Name]
N-{3-[5-Methyl-3-(trifluormethyl)-1H-pyrazol-1-yl]propyl}-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}hydrazincarbothioamid [German] [ACD/IUPAC Name]
N-{3-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}hydrazinecarbothioamide [ACD/IUPAC Name]
N-{3-[5-Méthyl-3-(trifluorométhyl)-1H-pyrazol-1-yl]propyl}-2-{4-[(4-nitro-1H-pyrazol-1-yl)méthyl]benzoyl}hydrazinecarbothioamide [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: 1.655
Molar Refractivity: 124.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.26
ACD/KOC (pH 5.5): 472.62
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.21
ACD/KOC (pH 7.4): 459.63
Polar Surface Area: 167 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 338.2±7.0 cm3

Click to predict properties on the Chemicalize site


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