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3-Chloranyl-5-(2-methoxyphenyl)-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID J12LsyDAI2q
InChI InChI=1S/C21H18ClF3N4O2/c1-5-20(3,6-2)27-19(30)17-16(22)18-26-13(12-9-7-8-10-14(12)31-4)11-15(21(23,24)25)29(18)28-17/h1,7-11H,6H2,2-4H3,(H,27,30)
InChIKey LXYMBZHDOHQBPJ-UHFFFAOYSA-N
Mol Weight 450.85 g/mol
Molecular Formula C21H18ClF3N4O2
Exact Mass 450.107038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrGZAtzBdOQ
Name 3-Chloranyl-5-(2-methoxyphenyl)-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18ClF3N4O2
InChI InChI=1S/C21H18ClF3N4O2/c1-5-20(3,6-2)27-19(30)17-16(22)18-26-13(12-9-7-8-10-14(12)31-4)11-15(21(23,24)25)29(18)28-17/h1,7-11H,6H2,2-4H3,(H,27,30)
InChIKey LXYMBZHDOHQBPJ-UHFFFAOYSA-N
Molecular Weight 450.849 g/mol
SMILES N(C(c1c(c2[n](C(C(F)(F)F)=CC(=N2)c2c(OC)cccc2)n1)Cl)=O)C(C#C)(CC)C
SPLASH splash10-0uk9-9838500000-11c2481991e983d59317
Synonyms 3-Chloro-5-(2-methoxyphenyl)-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide 3-Chloro-5-(2-methoxyphenyl)-N-(3-methylpent-1-yn-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 3-Chloro-N-(1-ethyl-1-methyl-prop-2-ynyl)-5-(2-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Wiley ID 1512306