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N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

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N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID 4Tx6su6LpdY
InChI InChI=1S/C21H15BrClF3N4O3/c22-11-3-1-10(2-4-11)13-8-16(21(24,25)26)30-19(28-13)17(23)18(29-30)20(31)27-12-5-6-14-15(7-12)33-9-32-14/h1-7,13,16,28H,8-9H2,(H,27,31)
InChIKey LXJCTBCXJZHCAA-UHFFFAOYSA-N
Mol Weight 543.73 g/mol
Molecular Formula C21H15BrClF3N4O3
Exact Mass 541.996816 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7GAdEszxk7w
Name N-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-3-chloro-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-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/C21H15BrClF3N4O3/c22-11-3-1-10(2-4-11)13-8-16(21(24,25)26)30-19(28-13)17(23)18(29-30)20(31)27-12-5-6-14-15(7-12)33-9-32-14/h1-7,13,16,28H,8-9H2,(H,27,31)
InChIKey LXJCTBCXJZHCAA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11615
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/9091947; UBI_ID: UBI-011618
Temperature 308 °C