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4-(2-hydroxyethyl)-2-[4-(4-methoxyphenyl)-5-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-5-methyl-1H-pyrazol-3-one
SpectraBase Compound ID ISRpUrEmvUy
InChI InChI=1S/C19H19F3N4O3/c1-10-15(12-4-6-13(29-3)7-5-12)23-18(24-16(10)19(20,21)22)26-17(28)14(8-9-27)11(2)25-26/h4-7,25,27H,8-9H2,1-3H3
InChIKey XPPFZQPPZXWVSO-UHFFFAOYSA-N
Mol Weight 408.38 g/mol
Molecular Formula C19H19F3N4O3
Exact Mass 408.140925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECkkRxzjYg8
Name 4-(2-hydroxyethyl)-2-[4-(4-methoxyphenyl)-5-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-5-methyl-1H-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19F3N4O3
InChI InChI=1S/C19H19F3N4O3/c1-10-15(12-4-6-13(29-3)7-5-12)23-18(24-16(10)19(20,21)22)26-17(28)14(8-9-27)11(2)25-26/h4-7,25,27H,8-9H2,1-3H3
InChIKey XPPFZQPPZXWVSO-UHFFFAOYSA-N
Molecular Weight 408.381 g/mol
SMILES N1C(=C(CCO)C(N1c1nc(c(c(n1)C(F)(F)F)C)-c1ccc(cc1)OC)=O)C
SPLASH splash10-0a6r-0006900000-d3860840836a62c7473c
Source of Spectrum C5-2005-812-3
Synonyms 4-(2-hydroxyethyl)-2-[4-(4-methoxyphenyl)-5-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-1H-pyrazol-3-one 4-(2-hydroxyethyl)-2-[4-(4-methoxyphenyl)-5-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-pyrazolin-3-one
Wiley ID 1618236