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1-Phenyl-3-(1-phenyl-3-methyl-4-(1-hydroxy-1-methoxycarbonyl-2,2,2-trifluoroethyl)pyrazol-5-yl)urea

View entire compound with spectra: 2 NMR

1-Phenyl-3-(1-phenyl-3-methyl-4-(1-hydroxy-1-methoxycarbonyl-2,2,2-trifluoroethyl)pyrazol-5-yl)urea
SpectraBase Compound ID 7R3bsOCQrEl
InChI InChI=1S/C21H19F3N4O4/c1-13-16(20(31,18(29)32-2)21(22,23)24)17(28(27-13)15-11-7-4-8-12-15)26-19(30)25-14-9-5-3-6-10-14/h3-12,31H,1-2H3,(H2,25,26,30)
InChIKey BDFKIPMUQYRSGG-UHFFFAOYSA-N
Mol Weight 448.4 g/mol
Molecular Formula C21H19F3N4O4
Exact Mass 448.13584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2NlzZ5k7IFY
Name 1-Phenyl-3-(1-phenyl-3-methyl-4-(1-hydroxy-1-methoxycarbonyl-2,2,2-trifluoroethyl)pyrazol-5-yl)urea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.135839593 u
Formula C21H19F3N4O4
InChI InChI=1S/C21H19F3N4O4/c1-13-16(20(31,18(29)32-2)21(22,23)24)17(28(27-13)15-11-7-4-8-12-15)26-19(30)25-14-9-5-3-6-10-14/h3-12,31H,1-2H3,(H2,25,26,30)
InChIKey BDFKIPMUQYRSGG-UHFFFAOYSA-N
Molecular Weight 448.402 g/mol
SMILES OC(C=1C(=NN(C1NC(=O)Nc1ccccc1)c1ccccc1)C)(C(F)(F)F)C(=O)OC