methyl 4-{[2-(4-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate
methyl 4-{[2-(4-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate
Compound characteristics
| Compound ID: | 8017-7803 |
| Compound Name: | methyl 4-{[2-(4-nitro-1H-pyrazol-1-yl)acetamido]methyl}benzoate |
| Molecular Weight: | 318.29 |
| Molecular Formula: | C14 H14 N4 O5 |
| Smiles: | COC(c1ccc(CNC(Cn2cc(cn2)[N+]([O-])=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2105 |
| logD: | 1.2105 |
| logSw: | -2.2773 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.771 |
| InChI Key: | IYWVADRERRHGBD-UHFFFAOYSA-N |