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

View entire compound with spectra: 1 NMR

3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID HScu1p2VWtF
InChI InChI=1S/C28H25BrF3N5O2S/c1-27(2,3)15-7-10-17-18(13-33)26(40-20(17)11-15)35-25(38)23-22(29)24-34-19(14-5-8-16(39-4)9-6-14)12-21(28(30,31)32)37(24)36-23/h5-6,8-9,12,15H,7,10-11H2,1-4H3,(H,35,38)
InChIKey YXPMQSLOJDEPKW-UHFFFAOYSA-N
Mol Weight 632.5 g/mol
Molecular Formula C28H25BrF3N5O2S
Exact Mass 631.086444 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A2pDTlACDJt
Name 3-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-5-(4-methoxyphenyl)-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/C28H25BrF3N5O2S/c1-27(2,3)15-7-10-17-18(13-33)26(40-20(17)11-15)35-25(38)23-22(29)24-34-19(14-5-8-16(39-4)9-6-14)12-21(28(30,31)32)37(24)36-23/h5-6,8-9,12,15H,7,10-11H2,1-4H3,(H,35,38)
InChIKey YXPMQSLOJDEPKW-UHFFFAOYSA-N
NMR Offset 16.5281
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2923
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/8072068; UBI_ID: UBI-002924
Temperature 308 °C