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(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

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(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID CPB2dbX1lj6
InChI InChI=1S/C18H20F3N5OS/c1-11(22-9-6-10-25(2)3)14-15(18(19,20)21)24-26(16(14)27)17-23-12-7-4-5-8-13(12)28-17/h4-5,7-8,22H,6,9-10H2,1-3H3/b14-11+
InChIKey SDMRAMFBDVZZRU-SDNWHVSQSA-N
Mol Weight 411.45 g/mol
Molecular Formula C18H20F3N5OS
Exact Mass 411.134066 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6VXXognD1tu
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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/C18H20F3N5OS/c1-11(22-9-6-10-25(2)3)14-15(18(19,20)21)24-26(16(14)27)17-23-12-7-4-5-8-13(12)28-17/h4-5,7-8,22H,6,9-10H2,1-3H3/b14-11+
InChIKey SDMRAMFBDVZZRU-SDNWHVSQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_17941
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/8076306; Labnumber: SM-0000049; UZI_ID: UZI-017948
Synonyms 2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 318 °C