For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

ethyl 4-[4-(acetylamino)phenoxy]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylate

View entire compound with spectra: 2 NMR

ethyl 4-[4-(acetylamino)phenoxy]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylate
SpectraBase Compound ID JhT7KGGP4Al
InChI InChI=1S/C20H21N5O4/c1-5-28-19(27)17-11-21-20(25-13(3)10-12(2)24-25)23-18(17)29-16-8-6-15(7-9-16)22-14(4)26/h6-11H,5H2,1-4H3,(H,22,26)
InChIKey VQYDQEMDJSUSGL-UHFFFAOYSA-N
Mol Weight 395.42 g/mol
Molecular Formula C20H21N5O4
Exact Mass 395.159354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID sThbwxYWUj
Name Ethyl 4-[4-(acetylamino)phenoxy]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.159354172 u
Formula C20H21N5O4
InChI InChI=1S/C20H21N5O4/c1-5-28-19(27)17-11-21-20(25-13(3)10-12(2)24-25)23-18(17)29-16-8-6-15(7-9-16)22-14(4)26/h6-11H,5H2,1-4H3,(H,22,26)
InChIKey VQYDQEMDJSUSGL-UHFFFAOYSA-N
Molecular Weight 395.419 g/mol
SMILES N(C(=O)C)C1=CC=C(OC=2N=C(N3N=C(C)C=C3C)N=CC2C(=O)OCC)C=C1