N-(3-chloro-4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
N-(3-chloro-4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-1403 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 296.67 |
| Molecular Formula: | C11 H9 Cl N4 O4 |
| Smiles: | COc1ccc(cc1[Cl])NC(c1c(c[nH]n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1975 |
| logD: | 1.7763 |
| logSw: | -3.2745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.502 |
| InChI Key: | HGNXFUXLCRGLNP-UHFFFAOYSA-N |