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5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

View entire compound with spectra: 1 NMR

5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-chloro-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 1mrM8VJKajc
InChI InChI=1S/C27H22BrClF3N5OS/c1-26(2,3)14-6-9-16-17(12-33)25(39-19(16)10-14)35-24(38)22-21(29)23-34-18(13-4-7-15(28)8-5-13)11-20(27(30,31)32)37(23)36-22/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,35,38)
InChIKey BYSPWCQRKAHEDH-UHFFFAOYSA-N
Mol Weight 636.92 g/mol
Molecular Formula C27H22BrClF3N5OS
Exact Mass 635.036907 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1NoZaiTfpZd
Name 5-(4-bromophenyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-3-chloro-7-(trifluoromethyl)pyrazolo[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/C27H22BrClF3N5OS/c1-26(2,3)14-6-9-16-17(12-33)25(39-19(16)10-14)35-24(38)22-21(29)23-34-18(13-4-7-15(28)8-5-13)11-20(27(30,31)32)37(23)36-22/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,35,38)
InChIKey BYSPWCQRKAHEDH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9659
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/8099090; Labnumber: IDV-5110; UZI_ID: UZI-009661
Temperature 308 °C