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3-chloro-2-{[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID AvS4yExAY4h
InChI InChI=1S/C25H24ClF4N5O2/c1-37-18-8-2-15(3-9-18)19-14-20(25(28,29)30)35-23(31-19)21(26)22(32-35)24(36)34-12-10-33(11-13-34)17-6-4-16(27)5-7-17/h2-9,19-20,31H,10-14H2,1H3
InChIKey SKMQZRVQOFCKSP-UHFFFAOYSA-N
Mol Weight 537.95 g/mol
Molecular Formula C25H24ClF4N5O2
Exact Mass 537.155465 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F9cbWaNm16l
Name 3-chloro-2-{[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}-5-(4-methoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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/C25H24ClF4N5O2/c1-37-18-8-2-15(3-9-18)19-14-20(25(28,29)30)35-23(31-19)21(26)22(32-35)24(36)34-12-10-33(11-13-34)17-6-4-16(27)5-7-17/h2-9,19-20,31H,10-14H2,1H3
InChIKey SKMQZRVQOFCKSP-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_9599
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/9080970; Labnumber: IDV-0105947; UZI_ID: UZI-009601
Synonyms 4-[3-chloro-2-{[4-(4-fluorophenyl)-1-piperazinyl]carbonyl}-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]phenyl methyl ether
Temperature 308 °C