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5-(1,3-Benzodioxol-5-yl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 85sKu5fXPtm
InChI InChI=1S/C23H18F6N4O4/c1-32(13-3-5-14(6-4-13)37-23(27,28)29)21(34)16-10-20-30-15(9-19(22(24,25)26)33(20)31-16)12-2-7-17-18(8-12)36-11-35-17/h2-8,10,15,19,30H,9,11H2,1H3
InChIKey OLEGEFIVKMHIKI-UHFFFAOYSA-N
Mol Weight 528.41 g/mol
Molecular Formula C23H18F6N4O4
Exact Mass 528.123224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdPYK6ZtKfc
Name 5-(1,3-Benzodioxol-5-yl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
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Formula C23H18F6N4O4
InChI InChI=1S/C23H18F6N4O4/c1-32(13-3-5-14(6-4-13)37-23(27,28)29)21(34)16-10-20-30-15(9-19(22(24,25)26)33(20)31-16)12-2-7-17-18(8-12)36-11-35-17/h2-8,10,15,19,30H,9,11H2,1H3
InChIKey OLEGEFIVKMHIKI-UHFFFAOYSA-N
Molecular Weight 528.411 g/mol
SMILES N1C(CC([n]2c1cc(n2)C(N(c1ccc(OC(F)(F)F)cc1)C)=O)C(F)(F)F)c1cc2c(OCO2)cc1
SPLASH splash10-000m-1944010000-47a0288901a2796a37d3
Synonyms 5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl-(4-trifluoromethoxy-phenyl)-amide
Wiley ID 1443187