(4E)-4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	J2Exr69SNYR
InChI	InChI=1S/C24H25F3N4OS/c1-13(23-9-14-6-15(10-23)8-16(7-14)11-23)28-12-17-20(24(25,26)27)30-31(21(17)32)22-29-18-4-2-3-5-19(18)33-22/h2-5,12-16,28H,6-11H2,1H3/b17-12+/t13?,14-,15+,16-,23-
InChIKey	BUFHLSHLYFHOIL-DVHKASPASA-N Google Search
Mol Weight	474.55 g/mol
Molecular Formula	C24H25F3N4OS
Exact Mass	474.170117 g/mol

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SpectraBase Spectrum ID	6py9IExRMHw
Name	(4E)-4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-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/C24H25F3N4OS/c1-13(23-9-14-6-15(10-23)8-16(7-14)11-23)28-12-17-20(24(25,26)27)30-31(21(17)32)22-29-18-4-2-3-5-19(18)33-22/h2-5,12-16,28H,6-11H2,1H3/b17-12+/t13?,14-,15+,16-,23-
InChIKey	BUFHLSHLYFHOIL-DVHKASPASA-N
NMR Offset	14.9921
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_459
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: 602300VOR8-8409; Labnumber: 602300VOR8-8409; VK_ID: VK-000460
Synonyms	4-({[1-(1-adamantyl)ethyl]amino}methylene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature	313 °C