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1-{[3-(adamantan-1-yl)-1-methyl-1H-pyrazol-5-yl]carbonyl}-4-(2-fluorophenyl)piperazine
SpectraBase Compound ID Hqb02N2OmzV
InChI InChI=1S/C25H31FN4O/c1-28-22(13-23(27-28)25-14-17-10-18(15-25)12-19(11-17)16-25)24(31)30-8-6-29(7-9-30)21-5-3-2-4-20(21)26/h2-5,13,17-19H,6-12,14-16H2,1H3
InChIKey LPBRXESTACXJPL-UHFFFAOYSA-N
Mol Weight 422.55 g/mol
Molecular Formula C25H31FN4O
Exact Mass 422.24819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EOeVGDmmTqD
Name 1-{[3-(adamantan-1-yl)-1-methyl-1H-pyrazol-5-yl]carbonyl}-4-(2-fluorophenyl)piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31FN4O
InChI InChI=1S/C25H31FN4O/c1-28-22(13-23(27-28)25-14-17-10-18(15-25)12-19(11-17)16-25)24(31)30-8-6-29(7-9-30)21-5-3-2-4-20(21)26/h2-5,13,17-19H,6-12,14-16H2,1H3
InChIKey LPBRXESTACXJPL-UHFFFAOYSA-N
Molecular Weight 422.548 g/mol
SMILES c1([n](nc(c1)C12CC3CC(C2)CC(C1)C3)C)C(N1CCN(c2c(F)cccc2)CC1)=O
SPLASH splash10-0udi-2920100000-2a5bd392af4b47c7a6d8
Source of Spectrum IY-2-5065-7
Synonyms Piperazine, 1-(2-fluorophenyl)-4-[(1-methyl-3-tricyclo[3.3.1.1(3,7)]dec-1-yl-1H-pyrazol-5-yl)carbonyl]- [5-(1-adamantyl)-2-methyl-3-pyrazolyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone [5-(1-adamantyl)-2-methylpyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone [5-(1-adamantyl)-2-methyl-pyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
Wiley ID 1658640