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N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID 8xgathrbp19
InChI InChI=1S/C29H27N5O/c1-20-18-21(2)33(31-20)19-23-14-16-25(17-15-23)30-29(35)27-22(3)34(26-12-8-5-9-13-26)32-28(27)24-10-6-4-7-11-24/h4-18H,19H2,1-3H3,(H,30,35)
InChIKey WXFIOZQUNZIGEL-UHFFFAOYSA-N
Mol Weight 461.57 g/mol
Molecular Formula C29H27N5O
Exact Mass 461.221561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AvTq2qOl9Y2
Name N-{4-[(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 461.221560508 u
Formula C29H27N5O
InChI InChI=1S/C29H27N5O/c1-20-18-21(2)33(31-20)19-23-14-16-25(17-15-23)30-29(35)27-22(3)34(26-12-8-5-9-13-26)32-28(27)24-10-6-4-7-11-24/h4-18H,19H2,1-3H3,(H,30,35)
InChIKey WXFIOZQUNZIGEL-UHFFFAOYSA-N
Molecular Weight 461.569 g/mol
SMILES N(C(C1=C(N(C2=CC=CC=C2)N=C1C=1C=CC=CC1)C)=O)C1=CC=C(CN2N=C(C)C=C2C)C=C1