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N-{1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxamide

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N-{1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxamide
SpectraBase Compound ID DThdZCaLPcY
InChI InChI=1S/C22H26BrN9O4/c1-10-18(23)13(4)30(25-10)9-31-14(5)19(11(2)26-31)24-22(33)20-17(16(7)36-28-20)8-29-15(6)21(32(34)35)12(3)27-29/h8-9H2,1-7H3,(H,24,33)
InChIKey UNDCCPCCQCBSEP-UHFFFAOYSA-N
Mol Weight 560.41 g/mol
Molecular Formula C22H26BrN9O4
Exact Mass 559.129113 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G2SGPBr36GT
Name N-{1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolecarboxamide
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/C22H26BrN9O4/c1-10-18(23)13(4)30(25-10)9-31-14(5)19(11(2)26-31)24-22(33)20-17(16(7)36-28-20)8-29-15(6)21(32(34)35)12(3)27-29/h8-9H2,1-7H3,(H,24,33)
InChIKey UNDCCPCCQCBSEP-UHFFFAOYSA-N
NMR Offset 17.9106
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32978
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: 1911840; SBI_ID: SBI-032982
Temperature 303 °C