dimethyl 1-(3-nitrophenyl)-1H-pyrazole-3,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-(3-nitrophenyl)-1H-pyrazole-3,4-dicarboxylate
dimethyl 1-(3-nitrophenyl)-1H-pyrazole-3,4-dicarboxylate
Compound characteristics
| Compound ID: | 8020-8712 |
| Compound Name: | dimethyl 1-(3-nitrophenyl)-1H-pyrazole-3,4-dicarboxylate |
| Molecular Weight: | 305.24 |
| Molecular Formula: | C13 H11 N3 O6 |
| Smiles: | COC(c1cn(c2cccc(c2)[N+]([O-])=O)nc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8084 |
| logD: | 1.8084 |
| logSw: | -2.2694 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.872 |
| InChI Key: | YTSLSPVFCSDKGS-UHFFFAOYSA-N |