3-chloro-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-benzothiophene-2-carboxamide

SpectraBase Compound ID	Fwco40ob4b8
InChI	InChI=1S/C21H17ClFN3OS/c1-12-19(13(2)26(25-12)11-14-7-9-15(23)10-8-14)24-21(27)20-18(22)16-5-3-4-6-17(16)28-20/h3-10H,11H2,1-2H3,(H,24,27)
InChIKey	FARLHMCEFJBVOC-UHFFFAOYSA-N Google Search
Mol Weight	413.9 g/mol
Molecular Formula	C21H17ClFN3OS
Exact Mass	413.076489 g/mol

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SpectraBase Spectrum ID	BRFuwlnvYaZ
Name	3-chloro-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-benzothiophene-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/C21H17ClFN3OS/c1-12-19(13(2)26(25-12)11-14-7-9-15(23)10-8-14)24-21(27)20-18(22)16-5-3-4-6-17(16)28-20/h3-10H,11H2,1-2H3,(H,24,27)
InChIKey	FARLHMCEFJBVOC-UHFFFAOYSA-N
NMR Offset	16.0772
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1741
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: 9084839; UBI_ID: UBI-001742
Temperature	308 °C