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N-{4-[(1-adamantylamino)sulfonyl]phenyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID F1dTLSkA6VZ
InChI InChI=1S/C31H31F2N5O3S/c1-18-2-4-22(5-3-18)26-13-27(28(32)33)38-29(36-26)25(17-34-38)30(39)35-23-6-8-24(9-7-23)42(40,41)37-31-14-19-10-20(15-31)12-21(11-19)16-31/h2-9,13,17,19-21,28,37H,10-12,14-16H2,1H3,(H,35,39)/t19-,20+,21-,31-
InChIKey JSCMVECSQJZZKO-YAUPNFBRSA-N
Mol Weight 591.68 g/mol
Molecular Formula C31H31F2N5O3S
Exact Mass 591.211567 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G5GiRsbAeGL
Name N-{4-[(1-adamantylamino)sulfonyl]phenyl}-7-(difluoromethyl)-5-(4-methylphenyl)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/C31H31F2N5O3S/c1-18-2-4-22(5-3-18)26-13-27(28(32)33)38-29(36-26)25(17-34-38)30(39)35-23-6-8-24(9-7-23)42(40,41)37-31-14-19-10-20(15-31)12-21(11-19)16-31/h2-9,13,17,19-21,28,37H,10-12,14-16H2,1H3,(H,35,39)/t19-,20+,21-,31-
InChIKey JSCMVECSQJZZKO-YAUPNFBRSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4576
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: 9677309; UBI_ID: UBI-004577
Temperature 308 °C