ChemSpider 2D Image | 3-{(2E)-2-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]hydrazino}-5-(propylsulfanyl)-4H-1,2,4-triazole | C14H23N7S

3-{(2E)-2-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]hydrazino}-5-(propylsulfanyl)-4H-1,2,4-triazole

  • Molecular FormulaC14H23N7S
  • Average mass321.444 Da
  • Monoisotopic mass321.173553 Da
  • ChemSpider ID34660683
  • Double-bond stereo - Double-bond stereo


More details:






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

1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(1-methylethyl)-, 2-[5-(propylthio)-4H-1,2,4-triazol-3-yl]hydrazone [ACD/Index Name]
3-{(2E)-2-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methylen]hydrazino}-5-(propylsulfanyl)-4H-1,2,4-triazol [German] [ACD/IUPAC Name]
3-{(2E)-2-[(1-Isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]hydrazino}-5-(propylsulfanyl)-4H-1,2,4-triazole [ACD/IUPAC Name]
3-{(2E)-2-[(1-Isopropyl-3,5-diméthyl-1H-pyrazol-4-yl)méthylène]hydrazino}-5-(propylsulfanyl)-4H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(1-methylethyl)-, [5-(propylthio)-4H-1,2,4-triazol-3-yl]hydrazone
1-isopropyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde [5-(propylthio)-4H-1,2,4-triazol-3-yl]hydrazone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 516.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 266.3±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 321.15
ACD/KOC (pH 5.5): 2166.12
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 317.04
ACD/KOC (pH 7.4): 2138.36
Polar Surface Area: 109 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 250.2±7.0 cm3

Click to predict properties on the Chemicalize site






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