![4-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid](/api/spectrum/5paSlg0uD1c/structure.png?h=300&w=458 "4-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid")
| SpectraBase Compound ID | 2HhEbfkbtIb |
|---|---|
| InChI | InChI=1S/C13H13N3O3/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-9(4-6-10)13(18)19/h3-7H,1-2H3,(H,15,17)(H,18,19) |
| InChIKey | KCUCIDCJSYSENE-UHFFFAOYSA-N |
| Mol Weight | 259.26 g/mol |
| Molecular Formula | C13H13N3O3 |
| Exact Mass | 259.095691 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5paSlg0uD1c |
|---|---|
| Name | 4-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.095691288 u |
| Formula | C13H13N3O3 |
| InChI | InChI=1S/C13H13N3O3/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-9(4-6-10)13(18)19/h3-7H,1-2H3,(H,15,17)(H,18,19) |
| InChIKey | KCUCIDCJSYSENE-UHFFFAOYSA-N |
| Molecular Weight | 259.265 g/mol |
| SMILES | N(C=1C=CC(C(=O)O)=CC1)C(C1=C(N(C)N=C1)C)=O |