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5-(3,4-Dimethoxy-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (adamantan-2-ylmethyl)-amide
SpectraBase Compound ID CepBMRHcKmD
InChI InChI=1S/C27H33F3N4O3/c1-36-22-4-3-16(10-23(22)37-2)21-11-24(27(28,29)30)34-25(33-21)20(13-32-34)26(35)31-12-19-17-6-14-5-15(8-17)9-18(19)7-14/h3-4,10,13-15,17-19,21,24,33H,5-9,11-12H2,1-2H3,(H,31,35)/t14-,15+,17-,18+,19?,21?,24?
InChIKey RTCXHRWHUFKUOC-QLQKGOLBSA-N
Mol Weight 518.6 g/mol
Molecular Formula C27H33F3N4O3
Exact Mass 518.250475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXlYmMVFyyN
Name 5-(3,4-Dimethoxy-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (adamantan-2-ylmethyl)-amide
Alternate Name(s) N-(2-adamantylmethyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33F3N4O3
InChI InChI=1S/C27H33F3N4O3/c1-36-22-4-3-16(10-23(22)37-2)21-11-24(27(28,29)30)34-25(33-21)20(13-32-34)26(35)31-12-19-17-6-14-5-15(8-17)9-18(19)7-14/h3-4,10,13-15,17-19,21,24,33H,5-9,11-12H2,1-2H3,(H,31,35)/t14-,15+,17-,18+,19?,21?,24?
InChIKey RTCXHRWHUFKUOC-QLQKGOLBSA-N
Molecular Weight 518.581 g/mol
SMILES N1C(CC([n]2c1c(C(NCC1[C@]3(C[C@]4(C[C@@]1(C[C@@](C3)(C4)[H])[H])[H])[H])=O)cn2)C(F)(F)F)c1cc(OC)c(cc1)OC
SPLASH splash10-0002-5983010000-c8edf696979106cfa628
Wiley ID 1443188