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3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 1IIOjM4z5AJ
InChI InChI=1S/C22H21ClF3N5O/c1-13-4-6-14(7-5-13)16-11-17(22(24,25)26)31-20(27-16)18(23)19(28-31)21(32)30-10-9-29-8-2-3-15(29)12-30/h4-7,11,15H,2-3,8-10,12H2,1H3
InChIKey CFEGBTRWZQSXOQ-UHFFFAOYSA-N
Mol Weight 463.89 g/mol
Molecular Formula C22H21ClF3N5O
Exact Mass 463.138673 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1WW0S9UzXXe
Name 3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
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/C22H21ClF3N5O/c1-13-4-6-14(7-5-13)16-11-17(22(24,25)26)31-20(27-16)18(23)19(28-31)21(32)30-10-9-29-8-2-3-15(29)12-30/h4-7,11,15H,2-3,8-10,12H2,1H3
InChIKey CFEGBTRWZQSXOQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13300
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/9099264; UBI_ID: UBI-013303
Temperature 308 °C