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2-chloro-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]nicotinamide

View entire compound with spectra: 2 NMR

2-chloro-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]nicotinamide
SpectraBase Compound ID DEx0NTtgx4T
InChI InChI=1S/C18H16ClFN4O/c1-11-16(22-18(25)15-4-3-9-21-17(15)19)12(2)24(23-11)10-13-5-7-14(20)8-6-13/h3-9H,10H2,1-2H3,(H,22,25)
InChIKey IXIOLRUZFGNEIL-UHFFFAOYSA-N
Mol Weight 358.8 g/mol
Molecular Formula C18H16ClFN4O
Exact Mass 358.099667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1tsXi66VdyH
Name 2-Chloro-N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]nicotinamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.099667013 u
Formula C18H16ClFN4O
InChI InChI=1S/C18H16ClFN4O/c1-11-16(22-18(25)15-4-3-9-21-17(15)19)12(2)24(23-11)10-13-5-7-14(20)8-6-13/h3-9H,10H2,1-2H3,(H,22,25)
InChIKey IXIOLRUZFGNEIL-UHFFFAOYSA-N
Molecular Weight 358.804 g/mol
SMILES N(C1=C(N(N=C1C)CC1=CC=C(F)C=C1)C)C(C=1C(=NC=CC1)Cl)=O