IUPAC Name :5-bromo-2-(3-chloropyridin-2-yl)-N-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
InChI :InChI=1/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)
Std.InChI: InChI=1S/C19H14BrClN6O2/c1-10-6-11(9-22)7-12(18(28)23-2)16(10)25-19(29)14-8-15(20)26-27(14)17-13(21)4-3-5-24-17/h3-8H,1-2H3,(H,23,28)(H,25,29)
InChIKey :DVBUIBGJRQBEDP-UHFFFAOYAE
Std.InChIKey: DVBUIBGJRQBEDP-UHFFFAOYSA-N
SMILES :CC1=CC(=CC(=C1NC(=O)C2=CC(=NN2C3=C(C=CC=N3)Cl)Br)C(=O)NC)C#N
MDL: MFCD28053506
Molar Refractivity :114.04 ± 0.5 cm3 (est)
Parachor :812.5 ± 8.0 cm3 (est)
Index of Refraction :1.703 ± 0.05
(est)
Surface Tension :58.4 ± 7.0 dyne/cm (est)
Density :1.61 ± 0.1 g/cm3 (est)
Polarizability :45.20 ± 0.5 10-24cm3 (est)