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2-[4-chloro-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]-N-cyclohexylacetamide

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2-[4-chloro-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]-N-cyclohexylacetamide
SpectraBase Compound ID GfEA1ZQdgB6
InChI InChI=1S/C25H28ClN3O/c1-17-8-12-19(13-9-17)24-23(26)25(20-14-10-18(2)11-15-20)29(28-24)16-22(30)27-21-6-4-3-5-7-21/h8-15,21H,3-7,16H2,1-2H3,(H,27,30)
InChIKey GXTXIYRZVPQFSL-UHFFFAOYSA-N
Mol Weight 421.97 g/mol
Molecular Formula C25H28ClN3O
Exact Mass 421.19209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Q5YfXLAZOP
Name 2-[4-Chloro-3,5-bis(4-methylphenyl)-1H-pyrazol-1-yl]-N-cyclohexylacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.192090233 u
Formula C25H28ClN3O
InChI InChI=1S/C25H28ClN3O/c1-17-8-12-19(13-9-17)24-23(26)25(20-14-10-18(2)11-15-20)29(28-24)16-22(30)27-21-6-4-3-5-7-21/h8-15,21H,3-7,16H2,1-2H3,(H,27,30)
InChIKey GXTXIYRZVPQFSL-UHFFFAOYSA-N
Molecular Weight 421.972 g/mol
SMILES N(C(=O)CN1C(=C(Cl)C(=N1)C=1C=CC(=CC1)C)C=1C=CC(=CC1)C)C1CCCCC1