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5-pyrimidinecarboxylic acid, 4-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester

View entire compound with spectra: 2 NMR

5-pyrimidinecarboxylic acid, 4-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester
SpectraBase Compound ID CS7ZVD9pE62
InChI InChI=1S/C22H19FN4O3/c1-13-18(21(28)30-2)20(25-22(29)24-13)17-12-27(16-6-4-3-5-7-16)26-19(17)14-8-10-15(23)11-9-14/h3-12,20H,1-2H3,(H2,24,25,29)
InChIKey UCTLQJOPGGXXBH-UHFFFAOYSA-N
Mol Weight 406.42 g/mol
Molecular Formula C22H19FN4O3
Exact Mass 406.144119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DS4OD3qW4qM
Name 5-Pyrimidinecarboxylic acid, 4-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]-1,2,3,4-tetrahydro-6-methyl-2-oxo-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.144118648 u
Formula C22H19FN4O3
InChI InChI=1S/C22H19FN4O3/c1-13-18(21(28)30-2)20(25-22(29)24-13)17-12-27(16-6-4-3-5-7-16)26-19(17)14-8-10-15(23)11-9-14/h3-12,20H,1-2H3,(H2,24,25,29)
InChIKey UCTLQJOPGGXXBH-UHFFFAOYSA-N
Molecular Weight 406.417 g/mol
SMILES N1C(=C(C(C=2C(=NN(C2)C=2C=CC=CC2)C=2C=CC(=CC2)F)NC1=O)C(=O)OC)C