2-methyl-3-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]propanoic acid
Chemical Structure Depiction of
2-methyl-3-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]propanoic acid
2-methyl-3-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]propanoic acid
Compound characteristics
| Compound ID: | Y507-1453 |
| Compound Name: | 2-methyl-3-[3-nitro-5-(propan-2-yl)-1H-pyrazol-1-yl]propanoic acid |
| Molecular Weight: | 241.24 |
| Molecular Formula: | C10 H15 N3 O4 |
| Smiles: | CC(C)c1cc(nn1CC(C)C(O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0034 |
| logD: | -1.5797 |
| logSw: | -1.2329 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.721 |
| InChI Key: | SQRQCEUOQXPANA-ZETCQYMHSA-N |