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(2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-propenamide

View entire compound with spectra: 1 NMR

(2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-propenamide
SpectraBase Compound ID HN06kq9N21E
InChI InChI=1S/C22H18N4O4/c1-14-20(22(28)26(25(14)2)17-6-4-3-5-7-17)24-21(27)16(12-23)10-15-8-9-18-19(11-15)30-13-29-18/h3-11H,13H2,1-2H3,(H,24,27)/b16-10+
InChIKey BXQQCSMELJZPNH-MHWRWJLKSA-N
Mol Weight 402.41 g/mol
Molecular Formula C22H18N4O4
Exact Mass 402.132805 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GIUZEHnTjwQ
Name (2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-propenamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H18N4O4/c1-14-20(22(28)26(25(14)2)17-6-4-3-5-7-17)24-21(27)16(12-23)10-15-8-9-18-19(11-15)30-13-29-18/h3-11H,13H2,1-2H3,(H,24,27)/b16-10+
InChIKey BXQQCSMELJZPNH-MHWRWJLKSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6975
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 123921; Labnumber: EX00088186; VK_ID: VK-006979
Synonyms 3-(1,3-benzodioxol-5-yl)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-propenamide
Temperature 308 °C