There will be scheduled maintenance work beginning on Wednesday 26th February 2020 from 11:00 AM through to 12.00 PM (GMT).

During this time, you may not be able to log into ChemSpider. We apologise for any inconvenience this might cause and thank you for your patience.

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


  • 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