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5-(4-bromophenyl)-3-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 9ygm5fNHU7U
InChI InChI=1S/C21H19BrF3N5O/c22-14-5-3-13(4-6-14)17-10-18(21(23,24)25)30-19(27-17)16(11-26-30)20(31)29-9-8-28-7-1-2-15(28)12-29/h3-6,10-11,15H,1-2,7-9,12H2
InChIKey KYJVEVYPMJPTRN-UHFFFAOYSA-N
Mol Weight 494.32 g/mol
Molecular Formula C21H19BrF3N5O
Exact Mass 493.072508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3kAL3CnnYpT
Name 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinyl]methanone
Alternate Name(s) 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
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Formula C21H19BrF3N5O
InChI InChI=1S/C21H19BrF3N5O/c22-14-5-3-13(4-6-14)17-10-18(21(23,24)25)30-19(27-17)16(11-26-30)20(31)29-9-8-28-7-1-2-15(28)12-29/h3-6,10-11,15H,1-2,7-9,12H2
InChIKey KYJVEVYPMJPTRN-UHFFFAOYSA-N
Molecular Weight 494.316 g/mol
SMILES c12[n](C(C(F)(F)F)=CC(=N2)c2ccc(cc2)Br)ncc1C(N1CC2CCCN2CC1)=O
SPLASH splash10-0002-9200000000-022c02201b3770321e9c
Wiley ID 1445488