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3-{[4-(3-chlorophenyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID HUqHIMHkMqB
InChI InChI=1S/C25H22ClF2N5O2/c1-35-19-7-5-16(6-8-19)21-14-22(23(27)28)33-24(30-21)20(15-29-33)25(34)32-11-9-31(10-12-32)18-4-2-3-17(26)13-18/h2-8,13-15,23H,9-12H2,1H3
InChIKey SPDQGTPPMKACFP-UHFFFAOYSA-N
Mol Weight 497.93 g/mol
Molecular Formula C25H22ClF2N5O2
Exact Mass 497.143009 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IlwynyimQBo
Name 3-{[4-(3-chlorophenyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)-5-(4-methoxyphenyl)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/C25H22ClF2N5O2/c1-35-19-7-5-16(6-8-19)21-14-22(23(27)28)33-24(30-21)20(15-29-33)25(34)32-11-9-31(10-12-32)18-4-2-3-17(26)13-18/h2-8,13-15,23H,9-12H2,1H3
InChIKey SPDQGTPPMKACFP-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9835
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/9317695; Labnumber: IRA1106; UZI_ID: UZI-009837
Synonyms 4-[3-{[4-(3-chlorophenyl)-1-piperazinyl]carbonyl}-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
Temperature 313 °C