ChemSpider 2D Image | 5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine | C19H12Cl2N6S

5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine

  • Molecular FormulaC19H12Cl2N6S
  • Average mass427.310 Da
  • Monoisotopic mass426.022125 Da
  • ChemSpider ID22376271

More details:

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

5-(2,3-Dichlorophenyl)-7-[(4-pyridinylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl thiocyanate [ACD/IUPAC Name]
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-amine
5-(2,3-Dichlorphenyl)-7-[(4-pyridinylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-ylthiocyanat [German] [ACD/IUPAC Name]
Thiocyanate de 5-(2,3-dichlorophényl)-7-[(4-pyridinylméthyl)amino]pyrazolo[1,5-a]pyrimidin-3-yle [French] [ACD/IUPAC Name]
Thiocyanic acid, 5-(2,3-dichlorophenyl)-7-[(4-pyridinylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl ester [ACD/Index Name]
{[5-(2,3-dichlorophenyl)-7-[(pyridin-4-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]sulfanyl}formonitrile

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: 1.745
Molar Refractivity: 115.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 357.54
ACD/KOC (pH 5.5): 2094.57
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 525.08
ACD/KOC (pH 7.4): 3076.07
Polar Surface Area: 104 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 62.0±7.0 dyne/cm
Molar Volume: 283.8±7.0 cm3

Click to predict properties on the Chemicalize site


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