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3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine

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3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID BiV1JPVq0Ci
InChI InChI=1S/C21H23ClF3N5O/c22-17-18(20(31)29-10-9-28-8-4-7-14(28)12-29)27-30-16(21(23,24)25)11-15(26-19(17)30)13-5-2-1-3-6-13/h1-3,5-6,14-16,26H,4,7-12H2
InChIKey GPLHYXPUZDDDEK-UHFFFAOYSA-N
Mol Weight 453.9 g/mol
Molecular Formula C21H23ClF3N5O
Exact Mass 453.154323 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CThG6r57hcM
Name 3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[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/C21H23ClF3N5O/c22-17-18(20(31)29-10-9-28-8-4-7-14(28)12-29)27-30-16(21(23,24)25)11-15(26-19(17)30)13-5-2-1-3-6-13/h1-3,5-6,14-16,26H,4,7-12H2
InChIKey GPLHYXPUZDDDEK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12013
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: UZI/9099933; UBI_ID: UBI-012016
Temperature 308 °C