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N-(1-adamantylmethyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
SpectraBase Compound ID 79RVCvaEU6M
InChI InChI=1S/C27H29F3N4O3/c1-36-21-4-3-18(8-22(21)37-2)20-9-23(27(28,29)30)34-24(33-20)19(13-32-34)25(35)31-14-26-10-15-5-16(11-26)7-17(6-15)12-26/h3-4,8-9,13,15-17H,5-7,10-12,14H2,1-2H3,(H,31,35)
InChIKey FAODUIMJGZIMEO-UHFFFAOYSA-N
Mol Weight 514.55 g/mol
Molecular Formula C27H29F3N4O3
Exact Mass 514.219175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYinquGADCy
Name N-(1-adamantylmethyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29F3N4O3
InChI InChI=1S/C27H29F3N4O3/c1-36-21-4-3-18(8-22(21)37-2)20-9-23(27(28,29)30)34-24(33-20)19(13-32-34)25(35)31-14-26-10-15-5-16(11-26)7-17(6-15)12-26/h3-4,8-9,13,15-17H,5-7,10-12,14H2,1-2H3,(H,31,35)
InChIKey FAODUIMJGZIMEO-UHFFFAOYSA-N
Molecular Weight 514.549 g/mol
SMILES N(C(c1c2[n](C(C(F)(F)F)=CC(=N2)c2cc(OC)c(cc2)OC)nc1)=O)CC12CC3CC(C2)CC(C1)C3
SPLASH splash10-03du-6902000000-1a1ab23795c908866ba1
Synonyms N-(1-adamantylmethyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Wiley ID 1443099