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5-(4-bromophenyl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

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5-(4-bromophenyl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID C5wi5PyVlC
InChI InChI=1S/C21H18BrF3N4OS/c1-31-17-5-3-2-4-14(17)27-20(30)16-11-19-26-15(12-6-8-13(22)9-7-12)10-18(21(23,24)25)29(19)28-16/h2-9,11,15,18,26H,10H2,1H3,(H,27,30)
InChIKey DUJOSGYSLXZTSU-UHFFFAOYSA-N
Mol Weight 511.36 g/mol
Molecular Formula C21H18BrF3N4OS
Exact Mass 510.03368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8LzwlnkSo8a
Name 5-(4-bromophenyl)-N-[2-(methylsulfanyl)phenyl]-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/C21H18BrF3N4OS/c1-31-17-5-3-2-4-14(17)27-20(30)16-11-19-26-15(12-6-8-13(22)9-7-12)10-18(21(23,24)25)29(19)28-16/h2-9,11,15,18,26H,10H2,1H3,(H,27,30)
InChIKey DUJOSGYSLXZTSU-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11641
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/9098008; UBI_ID: UBI-011644
Temperature 313 °C