4W4

5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile


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Chemical Component Summary

Name5-butyl-2-[(4-chloro-2-fluorobenzyl)amino]-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
Identifiers5-butyl-2-[(4-chloranyl-2-fluoranyl-phenyl)methylamino]-7-oxidanylidene-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
FormulaC18 H17 Cl F N5 O
Molecular Weight373.812
TypeNON-POLYMER
Isomeric SMILESCCCCC1=CC(=O)n2c(c(c(n2)NCc3ccc(cc3F)Cl)C#N)N1
InChIInChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24)
InChIKeyMRXJYWNXFPIXSE-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count0
Bond Count45
Aromatic Bond Count11