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3-({4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}carbonyl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 9AKU3dO07mV
InChI InChI=1S/C24H22BrF2N7O2/c1-14-3-5-15(6-4-14)18-11-19(21(26)27)34-22(29-18)16(12-28-34)23(35)32-7-9-33(10-8-32)24(36)20-17(25)13-31(2)30-20/h3-6,11-13,21H,7-10H2,1-2H3
InChIKey QBKIQJLBDNQIQZ-UHFFFAOYSA-N
Mol Weight 558.39 g/mol
Molecular Formula C24H22BrF2N7O2
Exact Mass 557.098642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6nTRuVNa3uH
Name 3-({4-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]-1-piperazinyl}carbonyl)-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
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/C24H22BrF2N7O2/c1-14-3-5-15(6-4-14)18-11-19(21(26)27)34-22(29-18)16(12-28-34)23(35)32-7-9-33(10-8-32)24(36)20-17(25)13-31(2)30-20/h3-6,11-13,21H,7-10H2,1-2H3
InChIKey QBKIQJLBDNQIQZ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3852
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: 9317912; UBI_ID: UBI-003853
Temperature 308 °C