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3-(.Epsilon.-methylaminopentyl)-5-(4-bromophenyl)-1-(4-nitrophenyl)-1H-pyrazole

View entire compound with spectra: 1 NMR

3-(.Epsilon.-methylaminopentyl)-5-(4-bromophenyl)-1-(4-nitrophenyl)-1H-pyrazole
SpectraBase Compound ID 8cDOSDqANKi
InChI InChI=1S/C21H23BrN4O2/c1-23-14-4-2-3-5-18-15-21(16-6-8-17(22)9-7-16)25(24-18)19-10-12-20(13-11-19)26(27)28/h6-13,15,23H,2-5,14H2,1H3
InChIKey SBLYWVNSAHEGDJ-UHFFFAOYSA-N
Mol Weight 443.35 g/mol
Molecular Formula C21H23BrN4O2
Exact Mass 442.100439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tNUcBVPHT4
Name 3-(.Epsilon.-methylaminopentyl)-5-(4-bromophenyl)-1-(4-nitrophenyl)-1H-pyrazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.100438995 u
Formula C21H23BrN4O2
InChI InChI=1S/C21H23BrN4O2/c1-23-14-4-2-3-5-18-15-21(16-6-8-17(22)9-7-16)25(24-18)19-10-12-20(13-11-19)26(27)28/h6-13,15,23H,2-5,14H2,1H3
InChIKey SBLYWVNSAHEGDJ-UHFFFAOYSA-N
Molecular Weight 443.345 g/mol
SMILES CNCCCCCC1=NN(C(C2=CC=C(C=C2)Br)=C1)C1=CC=C(C=C1)N(=O)=O