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3-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 4V3AqxqfhOh
InChI InChI=1S/C26H24ClF2N5O/c1-16-3-6-18(7-4-16)21-14-23(24(28)29)34-25(31-21)20(15-30-34)26(35)33-11-9-32(10-12-33)22-13-19(27)8-5-17(22)2/h3-8,13-15,24H,9-12H2,1-2H3
InChIKey PNBINCLOBWUVLS-UHFFFAOYSA-N
Mol Weight 495.96 g/mol
Molecular Formula C26H24ClF2N5O
Exact Mass 495.163744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F5OGJvcdMGX
Name 3-{[4-(5-chloro-2-methylphenyl)-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/C26H24ClF2N5O/c1-16-3-6-18(7-4-16)21-14-23(24(28)29)34-25(31-21)20(15-30-34)26(35)33-11-9-32(10-12-33)22-13-19(27)8-5-17(22)2/h3-8,13-15,24H,9-12H2,1-2H3
InChIKey PNBINCLOBWUVLS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3523
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: 9315904; UBI_ID: UBI-003524
Temperature 313 °C