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3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID BiV1JPVq0Ci
InChI InChI=1S/C21H23ClF3N5O/c22-17-18(20(31)29-10-9-28-8-4-7-14(28)12-29)27-30-16(21(23,24)25)11-15(26-19(17)30)13-5-2-1-3-6-13/h1-3,5-6,14-16,26H,4,7-12H2
InChIKey GPLHYXPUZDDDEK-UHFFFAOYSA-N
Mol Weight 453.9 g/mol
Molecular Formula C21H23ClF3N5O
Exact Mass 453.154323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2XzoJTSqNE
Name (3-chloro-5-phenyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidin-2-yl)-(hexahydro-pyrrolo[1,2-a]pyrazin-2-yl)-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23ClF3N5O
InChI InChI=1S/C21H23ClF3N5O/c22-17-18(20(31)29-10-9-28-8-4-7-14(28)12-29)27-30-16(21(23,24)25)11-15(26-19(17)30)13-5-2-1-3-6-13/h1-3,5-6,14-16,26H,4,7-12H2
InChIKey GPLHYXPUZDDDEK-UHFFFAOYSA-N
Molecular Weight 453.897 g/mol
SMILES N1C(CC([n]2c1c(c(n2)C(N1CC2CCCN2CC1)=O)Cl)C(F)(F)F)c1ccccc1
SPLASH splash10-000t-9712000000-495ef5d09cd3037d41b2
Synonyms 3-Chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Wiley ID 1445497