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N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 4kq92kPfXmK
InChI InChI=1S/C21H16BrF3N4O3/c22-12-3-1-11(2-4-12)14-8-18(21(23,24)25)29-19(27-14)9-15(28-29)20(30)26-13-5-6-16-17(7-13)32-10-31-16/h1-7,9,14,18,27H,8,10H2,(H,26,30)
InChIKey WGIIZHSDAPVKLQ-UHFFFAOYSA-N
Mol Weight 509.28 g/mol
Molecular Formula C21H16BrF3N4O3
Exact Mass 508.035788 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3kV8ineMCmH
Name N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
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/C21H16BrF3N4O3/c22-12-3-1-11(2-4-12)14-8-18(21(23,24)25)29-19(27-14)9-15(28-29)20(30)26-13-5-6-16-17(7-13)32-10-31-16/h1-7,9,14,18,27H,8,10H2,(H,26,30)
InChIKey WGIIZHSDAPVKLQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12392
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: UZI/9120362; UBI_ID: UBI-012395
Temperature 308 °C