![1H-Pyrazole-4-carbonitrile, 1-phenyl-5-[(4-pyridinylmethyl)amino]-](/api/spectrum/79rwBwwgMAx/structure.png?h=300&w=458 "1H-Pyrazole-4-carbonitrile, 1-phenyl-5-[(4-pyridinylmethyl)amino]-")
| SpectraBase Compound ID | 1ElNWSQEErg |
|---|---|
| InChI | InChI=1S/C16H13N5/c17-10-14-12-20-21(15-4-2-1-3-5-15)16(14)19-11-13-6-8-18-9-7-13/h1-9,12,19H,11H2 |
| InChIKey | CTCWTHAURHEBIY-UHFFFAOYSA-N |
| Mol Weight | 275.31 g/mol |
| Molecular Formula | C16H13N5 |
| Exact Mass | 275.117095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 79rwBwwgMAx |
|---|---|
| Name | 1H-Pyrazole-4-carbonitrile, 1-phenyl-5-[(4-pyridinylmethyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.117095439 u |
| Formula | C16H13N5 |
| InChI | InChI=1S/C16H13N5/c17-10-14-12-20-21(15-4-2-1-3-5-15)16(14)19-11-13-6-8-18-9-7-13/h1-9,12,19H,11H2 |
| InChIKey | CTCWTHAURHEBIY-UHFFFAOYSA-N |
| SMILES | C=1(N(C=2C=CC=CC2)N=CC1C#N)NCC=1C=CN=CC1 |