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(4-adamantan-1-yl-piperazin-1-yl)-[5-(4-chloro-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidin-2-yl]-methanone

View entire compound with spectra: 1 MS (GC)

(4-adamantan-1-yl-piperazin-1-yl)-[5-(4-chloro-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidin-2-yl]-methanone
SpectraBase Compound ID 5AoVdOt9SLJ
InChI InChI=1S/C28H33ClF3N5O/c29-21-3-1-20(2-4-21)22-12-24(28(30,31)32)37-25(33-22)13-23(34-37)26(38)35-5-7-36(8-6-35)27-14-17-9-18(15-27)11-19(10-17)16-27/h1-4,13,17-19,22,24,33H,5-12,14-16H2/t17-,18+,19-,22?,24?,27-
InChIKey WDJNIEADSJLIEA-UIOPNWERSA-N
Mol Weight 548.1 g/mol
Molecular Formula C28H33ClF3N5O
Exact Mass 547.232573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uujlzdSGPp
Name (4-adamantan-1-yl-piperazin-1-yl)-[5-(4-chloro-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidin-2-yl]-methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33ClF3N5O
InChI InChI=1S/C28H33ClF3N5O/c29-21-3-1-20(2-4-21)22-12-24(28(30,31)32)37-25(33-22)13-23(34-37)26(38)35-5-7-36(8-6-35)27-14-17-9-18(15-27)11-19(10-17)16-27/h1-4,13,17-19,22,24,33H,5-12,14-16H2/t17-,18+,19-,22?,24?,27-
InChIKey WDJNIEADSJLIEA-UIOPNWERSA-N
Molecular Weight 548.054 g/mol
SMILES N1C(CC([n]2c1cc(n2)C(N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)=O)C(F)(F)F)c1ccc(cc1)Cl
SPLASH splash10-004u-4900000000-66a0f902efdf7929245d
Synonyms 2-{[4-(1-adamantyl)-1-piperazinyl]carbonyl}-5-(4-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Wiley ID 1443546