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5-(4-bromophenyl)-N-(3-chloro-2-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

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5-(4-bromophenyl)-N-(3-chloro-2-methylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 3aNPDTUDNND
InChI InChI=1S/C21H17BrClF3N4O/c1-11-14(23)3-2-4-15(11)28-20(31)17-10-19-27-16(12-5-7-13(22)8-6-12)9-18(21(24,25)26)30(19)29-17/h2-8,10,16,18,27H,9H2,1H3,(H,28,31)
InChIKey NMEJWYMBQQOING-UHFFFAOYSA-N
Mol Weight 513.75 g/mol
Molecular Formula C21H17BrClF3N4O
Exact Mass 512.022636 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Bsvs0LJosz
Name 5-(4-bromophenyl)-N-(3-chloro-2-methylphenyl)-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/C21H17BrClF3N4O/c1-11-14(23)3-2-4-15(11)28-20(31)17-10-19-27-16(12-5-7-13(22)8-6-12)9-18(21(24,25)26)30(19)29-17/h2-8,10,16,18,27H,9H2,1H3,(H,28,31)
InChIKey NMEJWYMBQQOING-UHFFFAOYSA-N
NMR Offset 15.3538
NMR Spectrometer Frequency 300.134
Observed nucleus 1H
Origin 1H_UBI_21270_12046
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/9099978; UBI_ID: UBI-012049
Temperature 308 °C