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N-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID IwzO6FzkgOJ
InChI InChI=1S/C29H26BrN5O/c1-19-27(30)21(3)34(32-19)18-22-11-10-14-24(17-22)31-29(36)26-20(2)35(25-15-8-5-9-16-25)33-28(26)23-12-6-4-7-13-23/h4-17H,18H2,1-3H3,(H,31,36)
InChIKey LWRZHMDJOMIHQM-UHFFFAOYSA-N
Mol Weight 540.47 g/mol
Molecular Formula C29H26BrN5O
Exact Mass 539.132073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxF5YqL8N3H
Name N-{3-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.132073476 u
Formula C29H26BrN5O
InChI InChI=1S/C29H26BrN5O/c1-19-27(30)21(3)34(32-19)18-22-11-10-14-24(17-22)31-29(36)26-20(2)35(25-15-8-5-9-16-25)33-28(26)23-12-6-4-7-13-23/h4-17H,18H2,1-3H3,(H,31,36)
InChIKey LWRZHMDJOMIHQM-UHFFFAOYSA-N
Molecular Weight 540.465 g/mol
SMILES N(C(C1=C(N(C2=CC=CC=C2)N=C1C=1C=CC=CC1)C)=O)C1=CC(CN2N=C(C)C(=C2C)Br)=CC=C1