methyl 4-{5-methyl-3-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoate
Chemical Structure Depiction of
methyl 4-{5-methyl-3-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoate
methyl 4-{5-methyl-3-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoate
Compound characteristics
| Compound ID: | 8018-0989 |
| Compound Name: | methyl 4-{5-methyl-3-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoate |
| Molecular Weight: | 350.33 |
| Molecular Formula: | C14 H18 N6 O5 |
| Smiles: | Cc1cc(NC(Cn2cc(cn2)[N+]([O-])=O)=O)nn1CCCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.063 |
| logD: | 0.0184 |
| logSw: | -1.9008 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.6 |
| InChI Key: | QLUFVLKVYJQVRH-UHFFFAOYSA-N |