methyl 4-{[4-(4-nitro-1H-pyrazol-1-yl)butanamido]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(4-nitro-1H-pyrazol-1-yl)butanamido]methyl}benzoate
methyl 4-{[4-(4-nitro-1H-pyrazol-1-yl)butanamido]methyl}benzoate
Compound characteristics
| Compound ID: | 8017-9398 |
| Compound Name: | methyl 4-{[4-(4-nitro-1H-pyrazol-1-yl)butanamido]methyl}benzoate |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C16 H18 N4 O5 |
| Smiles: | COC(c1ccc(CNC(CCCn2cc(cn2)[N+]([O-])=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8799 |
| logD: | 0.8799 |
| logSw: | -2.0053 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.749 |
| InChI Key: | LRPZLCNAPCBIDX-UHFFFAOYSA-N |