1665195-94-7

Name 4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]-benzonitrile
CAS 1665195-94-7
Molecular Formula C20H19N7
MDL Number MFCD28166490
Molecular Weight 357.41
MOL File 1665195-94-7.mol
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Chemical Properties

Boiling point  632.8±55.0 °C(Predicted)
density  1.26±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO:18.58(Max Conc. mg/mL);51.99(Max Conc. mM)
DMF:20.0(Max Conc. mg/mL);55.96(Max Conc. mM)
DMF:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.4(Max Conc. mM)
Ethanol:13.37(Max Conc. mg/mL);37.41(Max Conc. mM)
form  A crystalline solid
pka 4.29±0.61(Predicted)
color  Off-white to light yellow
InChI 1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3
InChIKey RRZVGDGTWNQAPW-UHFFFAOYSA-N
SMILES CN(N=C1)C=C1CCN2C=NC(C3=CN(C)N=C3)=C2C4=CC=C(C#N)C=C4

Safety Data

WGK Germany  WGK 3
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 3 Oral

Hazard Information

Spectrum Detail

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