N-{1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
N-{1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-0288 |
| Compound Name: | N-{1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-1-ethyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 420.83 |
| Molecular Formula: | C18 H18 Cl F N6 O3 |
| Smiles: | CCn1cc(c(C(Nc2c(C)nn(Cc3ccc(cc3[Cl])F)c2C)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1707 |
| logD: | 2.081 |
| logSw: | -3.1785 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.345 |
| InChI Key: | YSEUHRKINHZWFR-UHFFFAOYSA-N |