![1-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide](/api/spectrum/1lR9x4a9ZEF/structure.png?h=300&w=458 "1-methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide")
| SpectraBase Compound ID | GxSeKXCT2wZ |
|---|---|
| InChI | InChI=1S/C12H10F3N3O/c1-18-7-8(6-16-18)11(19)17-10-4-2-9(3-5-10)12(13,14)15/h2-7H,1H3,(H,17,19) |
| InChIKey | NQKOCDQYGHZGEE-UHFFFAOYSA-N |
| Mol Weight | 269.23 g/mol |
| Molecular Formula | C12H10F3N3O |
| Exact Mass | 269.077596 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1lR9x4a9ZEF |
|---|---|
| Name | 1-Methyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.077596442 u |
| Formula | C12H10F3N3O |
| InChI | InChI=1S/C12H10F3N3O/c1-18-7-8(6-16-18)11(19)17-10-4-2-9(3-5-10)12(13,14)15/h2-7H,1H3,(H,17,19) |
| InChIKey | NQKOCDQYGHZGEE-UHFFFAOYSA-N |
| Molecular Weight | 269.227 g/mol |
| SMILES | N(C=1C=CC(C(F)(F)F)=CC1)C(C1=CN(C)N=C1)=O |