2-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]propanoic acid
Chemical Structure Depiction of
2-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]propanoic acid
2-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]propanoic acid
Compound characteristics
| Compound ID: | Y507-1449 |
| Compound Name: | 2-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]propanoic acid |
| Molecular Weight: | 227.22 |
| Molecular Formula: | C9 H13 N3 O4 |
| Smiles: | CC(C)c1cc(nn1C(C)C(O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7495 |
| logD: | -3.0861 |
| logSw: | -0.9628 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.81 |
| InChI Key: | BEWGXFYIDCQILU-LURJTMIESA-N |