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N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]isonicotinamide

View entire compound with spectra: 2 NMR

N-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]isonicotinamide
SpectraBase Compound ID 2GegMSsVdwZ
InChI InChI=1S/C18H16Cl2N4O/c1-11-17(22-18(25)13-6-8-21-9-7-13)12(2)24(23-11)10-14-15(19)4-3-5-16(14)20/h3-9H,10H2,1-2H3,(H,22,25)
InChIKey ACIHXZKIEGJYDS-UHFFFAOYSA-N
Mol Weight 375.26 g/mol
Molecular Formula C18H16Cl2N4O
Exact Mass 374.070117 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 595hyD0AlVp
Name N-[1-(2,6-Dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]isonicotinamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.070116550 u
Formula C18H16Cl2N4O
InChI InChI=1S/C18H16Cl2N4O/c1-11-17(22-18(25)13-6-8-21-9-7-13)12(2)24(23-11)10-14-15(19)4-3-5-16(14)20/h3-9H,10H2,1-2H3,(H,22,25)
InChIKey ACIHXZKIEGJYDS-UHFFFAOYSA-N
Molecular Weight 375.259 g/mol
SMILES N(C1=C(N(N=C1C)CC=1C(Cl)=CC=CC1Cl)C)C(=O)C=1C=CN=CC1