![4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide](/api/spectrum/FFowDicfVQP/structure.png?h=300&w=458 "4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide")
| SpectraBase Compound ID | 3ByB5Cxf4WD |
|---|---|
| InChI | InChI=1S/C17H20ClN3O/c18-15-10-19-21(12-15)11-13-6-8-14(9-7-13)17(22)20-16-4-2-1-3-5-16/h6-10,12,16H,1-5,11H2,(H,20,22) |
| InChIKey | ARSBATQQFKTYHT-UHFFFAOYSA-N |
| Mol Weight | 317.82 g/mol |
| Molecular Formula | C17H20ClN3O |
| Exact Mass | 317.12949 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFowDicfVQP |
|---|---|
| Name | 4-[(4-Chloro-1H-pyrazol-1-yl)methyl]-N-cyclohexylbenzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.129489975 u |
| Formula | C17H20ClN3O |
| InChI | InChI=1S/C17H20ClN3O/c18-15-10-19-21(12-15)11-13-6-8-14(9-7-13)17(22)20-16-4-2-1-3-5-16/h6-10,12,16H,1-5,11H2,(H,20,22) |
| InChIKey | ARSBATQQFKTYHT-UHFFFAOYSA-N |
| SMILES | N(C1CCCCC1)C(C=1C=CC(CN2N=CC(=C2)Cl)=CC1)=O |