methyl (3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetate
methyl (3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetate
Compound characteristics
| Compound ID: | Y507-3863 |
| Compound Name: | methyl (3-carbamoyl-4-nitro-1H-pyrazol-1-yl)acetate |
| Molecular Weight: | 228.16 |
| Molecular Formula: | C7 H8 N4 O5 |
| Smiles: | COC(Cn1cc(c(C(N)=O)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.112 |
| logD: | -1.112 |
| logSw: | -0.5247 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.281 |
| InChI Key: | XEIVHRYGLCLAKD-UHFFFAOYSA-N |