methyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate
methyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | C163-0126 |
| Compound Name: | methyl 2-[4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamido]benzoate |
| Molecular Weight: | 346.34 |
| Molecular Formula: | C16 H18 N4 O5 |
| Smiles: | Cc1cc(nn1CCCC(Nc1ccccc1C(=O)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8959 |
| logD: | 0.8236 |
| logSw: | -2.3726 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.616 |
| InChI Key: | CCYJMZWEDUYLGN-UHFFFAOYSA-N |