methyl [5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-3-yl]acetate
Chemical Structure Depiction of
methyl [5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-3-yl]acetate
methyl [5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-3-yl]acetate
Compound characteristics
| Compound ID: | 8013-5353 |
| Compound Name: | methyl [5-hydroxy-1-(4-nitrophenyl)-1H-pyrazol-3-yl]acetate |
| Molecular Weight: | 277.23 |
| Molecular Formula: | C12 H11 N3 O5 |
| Smiles: | COC(Cc1cc(n(c2ccc(cc2)[N+]([O-])=O)n1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2959 |
| logD: | 0.5707 |
| logSw: | -1.9035 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.26 |
| InChI Key: | WPWBFDCVMKGIHE-UHFFFAOYSA-N |