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methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate

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methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 5QKci4ffyRz
InChI InChI=1S/C20H14ClF3N4O3S2/c1-8-9(2)33-18(13(8)19(30)31-3)26-17(29)15-14(21)16-25-10(11-5-4-6-32-11)7-12(20(22,23)24)28(16)27-15/h4-7H,1-3H3,(H,26,29)
InChIKey SLJUYRLZAKFGTH-UHFFFAOYSA-N
Mol Weight 514.93 g/mol
Molecular Formula C20H14ClF3N4O3S2
Exact Mass 514.014795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID lQbR3BjMmt
Name methyl 2-({[3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
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/C20H14ClF3N4O3S2/c1-8-9(2)33-18(13(8)19(30)31-3)26-17(29)15-14(21)16-25-10(11-5-4-6-32-11)7-12(20(22,23)24)28(16)27-15/h4-7H,1-3H3,(H,26,29)
InChIKey SLJUYRLZAKFGTH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3338
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/8090136; UBI_ID: UBI-003339
Temperature 308 °C