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(4-adamantan-2-yl-piperazin-1-yl)-[5-(3,4-dimethoxy-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-2-yl-piperazin-1-yl)-[5-(3,4-dimethoxy-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidin-2-yl]-methanone
SpectraBase Compound ID 3Em74q9oZPG
InChI InChI=1S/C30H38F3N5O3/c1-40-24-4-3-19(14-25(24)41-2)22-15-26(30(31,32)33)38-27(34-22)16-23(35-38)29(39)37-7-5-36(6-8-37)28-20-10-17-9-18(12-20)13-21(28)11-17/h3-4,14,16-18,20-22,26,28,34H,5-13,15H2,1-2H3/t17-,18+,20-,21+,22?,26?,28-
InChIKey COUQSWZIKUJZCY-CCYCJZGESA-N
Mol Weight 573.7 g/mol
Molecular Formula C30H38F3N5O3
Exact Mass 573.292675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ehbs0i74QMw
Name (4-adamantan-2-yl-piperazin-1-yl)-[5-(3,4-dimethoxy-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 C30H38F3N5O3
InChI InChI=1S/C30H38F3N5O3/c1-40-24-4-3-19(14-25(24)41-2)22-15-26(30(31,32)33)38-27(34-22)16-23(35-38)29(39)37-7-5-36(6-8-37)28-20-10-17-9-18(12-20)13-21(28)11-17/h3-4,14,16-18,20-22,26,28,34H,5-13,15H2,1-2H3/t17-,18+,20-,21+,22?,26?,28-
InChIKey COUQSWZIKUJZCY-CCYCJZGESA-N
Molecular Weight 573.661 g/mol
SMILES N1C(CC([n]2c1cc(n2)C(N1CCN(C2[C@]3(C[C@]4(C[C@@]2(C[C@](C4)(C3)[H])[H])[H])[H])CC1)=O)C(F)(F)F)c1cc(c(OC)cc1)OC
SPLASH splash10-002u-2911000000-d37aa9f1a282df65b551
Synonyms 2-{[4-(2-adamantyl)-1-piperazinyl]carbonyl}-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Wiley ID 1443189