![3-[3-(4-Fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-1-propanamine](/api/spectrum/23BLbkuIuzc/structure.png?h=300&w=458 "3-[3-(4-Fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-1-propanamine")
| SpectraBase Compound ID | Kl96uETG2FF |
|---|---|
| InChI | InChI=1S/C13H16FN3/c1-15-8-2-3-12-9-13(17-16-12)10-4-6-11(14)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,16,17) |
| InChIKey | MFKRTYXINKLSOM-UHFFFAOYSA-N |
| Mol Weight | 233.29 g/mol |
| Molecular Formula | C13H16FN3 |
| Exact Mass | 233.132826 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 23BLbkuIuzc |
|---|---|
| Name | 3-[3-(4-Fluorophenyl)-1H-pyrazol-5-yl]-N-methyl-1-propanamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.132825690 u |
| Formula | C13H16FN3 |
| InChI | InChI=1S/C13H16FN3/c1-15-8-2-3-12-9-13(17-16-12)10-4-6-11(14)7-5-10/h4-7,9,15H,2-3,8H2,1H3,(H,16,17) |
| InChIKey | MFKRTYXINKLSOM-UHFFFAOYSA-N |
| Molecular Weight | 233.290 g/mol |
| SMILES | C1(F)=CC=C(C=C1)C1=NNC(=C1)CCCNC |