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5-(1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

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5-(1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID GfBSuwC4fLB
InChI InChI=1S/C22H19F3N4O3S/c1-33-18-5-3-2-4-13(18)27-21(30)15-10-20-26-14(9-19(22(23,24)25)29(20)28-15)12-6-7-16-17(8-12)32-11-31-16/h2-8,10,14,19,26H,9,11H2,1H3,(H,27,30)
InChIKey APSXEALPWLXONI-UHFFFAOYSA-N
Mol Weight 476.47 g/mol
Molecular Formula C22H19F3N4O3S
Exact Mass 476.112996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L25Jdx3FxLa
Name 5-(1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
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/C22H19F3N4O3S/c1-33-18-5-3-2-4-13(18)27-21(30)15-10-20-26-14(9-19(22(23,24)25)29(20)28-15)12-6-7-16-17(8-12)32-11-31-16/h2-8,10,14,19,26H,9,11H2,1H3,(H,27,30)
InChIKey APSXEALPWLXONI-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17957
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/9091647; UBI_ID: UBI-017960
Temperature 313 °C