ChemSpider 2D Image | trans-3-(Cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutanecarbonitrile | C20H17N9

trans-3-(Cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutanecarbonitrile

  • Molecular FormulaC20H17N9
  • Average mass383.409 Da
  • Monoisotopic mass383.160706 Da
  • ChemSpider ID84492190

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclobutaneacetonitrile, 3-cyano-1-[4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl]-, trans- [ACD/Index Name]
trans-3-(Cyanmethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutancarbonitril [German] [ACD/IUPAC Name]
trans-3-(Cyanomethyl)-3-{4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutanecarbonitrile [ACD/IUPAC Name]
trans-3-(Cyanométhyl)-3-{4-[6-(1-méthyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]-1H-pyrazol-1-yl}cyclobutanecarbonitrile [French] [ACD/IUPAC Name]
2127109-84-4 [RN]
2127109-85-5 [RN]
3-(cyanomethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]cyclobutane-1-carbonitrile
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4459585/
PF-06826647
Ropsacitinib
More...

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: 1.787
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.05
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.66
ACD/KOC (pH 5.5): 49.98
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 49.98
Polar Surface Area: 113 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 261.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement