N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-6308 |
| Compound Name: | N-benzyl-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 276.25 |
| Molecular Formula: | C12 H12 N4 O4 |
| Smiles: | COc1c(c(C(NCc2ccccc2)=O)[nH]n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8137 |
| logD: | 1.4681 |
| logSw: | -2.0295 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.265 |
| InChI Key: | XZJYYTUHGOTCEN-UHFFFAOYSA-N |