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N-(1-adamantyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SpectraBase Compound ID 10ZFllpwIGo
InChI InChI=1S/C22H21F3N4OS/c23-22(24,25)18-7-16(17-2-1-3-31-17)27-19-15(11-26-29(18)19)20(30)28-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,11-14H,4-6,8-10H2,(H,28,30)/t12-,13+,14-,21-
InChIKey UKIBBFLNDUEJEV-GCHHLULHSA-N
Mol Weight 446.49 g/mol
Molecular Formula C22H21F3N4OS
Exact Mass 446.138817 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6r7a960Z1Ru
Name N-(1-adamantyl)-5-(2-thienyl)-7-(trifluoromethyl)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/C22H21F3N4OS/c23-22(24,25)18-7-16(17-2-1-3-31-17)27-19-15(11-26-29(18)19)20(30)28-21-8-12-4-13(9-21)6-14(5-12)10-21/h1-3,7,11-14H,4-6,8-10H2,(H,28,30)/t12-,13+,14-,21-
InChIKey UKIBBFLNDUEJEV-GCHHLULHSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1227
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/1182062; Labnumber: AC-NHALL/1218430; UZI_ID: UZI-001229
Temperature 313 °C