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7-(difluoromethyl)-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

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7-(difluoromethyl)-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID d25ZTYvCQe
InChI InChI=1S/C27H27F2N5O4S/c1-38-20-10-6-18(7-11-20)23-16-24(25(28)29)34-26(32-23)22(17-30-34)27(35)31-19-8-12-21(13-9-19)39(36,37)33-14-4-2-3-5-15-33/h6-13,16-17,25H,2-5,14-15H2,1H3,(H,31,35)
InChIKey VLXPVWVKQBBVJB-UHFFFAOYSA-N
Mol Weight 555.6 g/mol
Molecular Formula C27H27F2N5O4S
Exact Mass 555.175182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dx2A4D3kga9
Name 7-(difluoromethyl)-N-[4-(hexahydro-1H-azepin-1-ylsulfonyl)phenyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-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/C27H27F2N5O4S/c1-38-20-10-6-18(7-11-20)23-16-24(25(28)29)34-26(32-23)22(17-30-34)27(35)31-19-8-12-21(13-9-19)39(36,37)33-14-4-2-3-5-15-33/h6-13,16-17,25H,2-5,14-15H2,1H3,(H,31,35)
InChIKey VLXPVWVKQBBVJB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9859
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/9317610; Labnumber: IRA1161; UZI_ID: UZI-009861
Temperature 318 °C