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N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide

View entire compound with spectra: 2 NMR

N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
SpectraBase Compound ID IB3GhjyyDFM
InChI InChI=1S/C30H31N5O/c1-20-27(28(24-8-4-2-5-9-24)33-35(20)25-10-6-3-7-11-25)29(36)31-26-12-13-34(32-26)30-17-21-14-22(18-30)16-23(15-21)19-30/h2-13,21-23H,14-19H2,1H3,(H,31,32,36)/t21-,22+,23-,30-
InChIKey UYELUPDCZFAXOL-XEKWSLBJSA-N
Mol Weight 477.61 g/mol
Molecular Formula C30H31N5O
Exact Mass 477.252861 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bdes7glmw8a
Name N-[1-(1-Adamantyl)-1H-pyrazol-3-yl]-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 477.252860637 u
Formula C30H31N5O
InChI InChI=1S/C30H31N5O/c1-20-27(28(24-8-4-2-5-9-24)33-35(20)25-10-6-3-7-11-25)29(36)31-26-12-13-34(32-26)30-17-21-14-22(18-30)16-23(15-21)19-30/h2-13,21-23H,14-19H2,1H3,(H,31,32,36)/t21-,22+,23-,30-
InChIKey UYELUPDCZFAXOL-XEKWSLBJSA-N
Molecular Weight 477.612 g/mol
SMILES N(C1=NN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])C=C1)C(C1=C(N(C=2C=CC=CC2)N=C1C1=CC=CC=C1)C)=O