4-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoic acid
Chemical Structure Depiction of
4-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoic acid
4-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoic acid
Compound characteristics
| Compound ID: | 8016-3681 |
| Compound Name: | 4-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]-1H-pyrazol-1-yl}butanoic acid |
| Molecular Weight: | 322.28 |
| Molecular Formula: | C12 H14 N6 O5 |
| Smiles: | C(CC(O)=O)Cn1cc(cn1)NC(Cn1cc(cn1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.9885 |
| logD: | -3.7076 |
| logSw: | -1.3619 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.414 |
| InChI Key: | MSGUMJIAXGGPJE-UHFFFAOYSA-N |