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2-[(4-benzhydryl-1-piperazinyl)carbonyl]-5-(5-chloro-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID E9AaKQnUEqb
InChI InChI=1S/C29H23ClF3N5OS/c30-25-12-11-23(40-25)21-17-24(29(31,32)33)38-26(34-21)18-22(35-38)28(39)37-15-13-36(14-16-37)27(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,27H,13-16H2
InChIKey QXAMNWPMULIAJS-UHFFFAOYSA-N
Mol Weight 582.05 g/mol
Molecular Formula C29H23ClF3N5OS
Exact Mass 581.126394 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Lk4uWuSwXN
Name 2-[(4-benzhydryl-1-piperazinyl)carbonyl]-5-(5-chloro-2-thienyl)-7-(trifluoromethyl)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/C29H23ClF3N5OS/c30-25-12-11-23(40-25)21-17-24(29(31,32)33)38-26(34-21)18-22(35-38)28(39)37-15-13-36(14-16-37)27(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,27H,13-16H2
InChIKey QXAMNWPMULIAJS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6198
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/1025791; Labnumber: COL1069; UZI_ID: UZI-006200
Temperature 318 °C