methyl 3-amino-1-(4-chloro-3-nitrobenzoyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 3-amino-1-(4-chloro-3-nitrobenzoyl)-1H-pyrazole-4-carboxylate
methyl 3-amino-1-(4-chloro-3-nitrobenzoyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | K781-1315 |
| Compound Name: | methyl 3-amino-1-(4-chloro-3-nitrobenzoyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 324.68 |
| Molecular Formula: | C12 H9 Cl N4 O5 |
| Smiles: | COC(c1cn(C(c2ccc(c(c2)[N+]([O-])=O)[Cl])=O)nc1N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.012 |
| logD: | 1.012 |
| logSw: | -2.8328 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.519 |
| InChI Key: | MVDPVZNAESXWLN-UHFFFAOYSA-N |