N-(5-chloro-2-methoxyphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
N-(5-chloro-2-methoxyphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1992 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-1,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 324.72 |
| Molecular Formula: | C13 H13 Cl N4 O4 |
| Smiles: | Cc1c(c(C(Nc2cc(ccc2OC)[Cl])=O)nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1397 |
| logD: | 1.1233 |
| logSw: | -3.1929 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.075 |
| InChI Key: | DKGDIFYWWBLQCZ-UHFFFAOYSA-N |