1-[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]isonipecotic acid ethyl ester

SpectraBase Compound ID	AAuVCcH41kZ
InChI	InChI=1S/C20H19ClF2N4O3S/c1-2-30-19(29)12-5-7-26(8-6-12)18(28)14-11-17-24-13(15-4-3-9-31-15)10-16(20(21,22)23)27(17)25-14/h3-4,9-12H,2,5-8H2,1H3
InChIKey	HTZCSCVLIOJGQF-UHFFFAOYSA-N Google Search
Mol Weight	468.91 g/mol
Molecular Formula	C20H19ClF2N4O3S
Exact Mass	468.083446 g/mol

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SpectraBase Spectrum ID	8DQMJZ29XMU
Name	4-piperidinecarboxylic acid, 1-[[7-(chlorodifluoromethyl)-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	468.083445685 u
Formula	C20H19ClF2N4O3S
InChI	InChI=1S/C20H19ClF2N4O3S/c1-2-30-19(29)12-5-7-26(8-6-12)18(28)14-11-17-24-13(15-4-3-9-31-15)10-16(20(21,22)23)27(17)25-14/h3-4,9-12H,2,5-8H2,1H3
InChIKey	HTZCSCVLIOJGQF-UHFFFAOYSA-N
Molecular Weight	468.907 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_18444
Solvent	DMSO-d6
Source	Vendor ID: NMR/11250893; Lab Info: DAL; Lab Number: DAL-idk0367