4-chloro-N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]benzamide
Chemical Structure Depiction of
4-chloro-N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]benzamide
4-chloro-N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | Y502-1932 |
| Compound Name: | 4-chloro-N-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]benzamide |
| Molecular Weight: | 322.75 |
| Molecular Formula: | C14 H15 Cl N4 O3 |
| Smiles: | Cc1c(c(C)n(CCNC(c2ccc(cc2)[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8197 |
| logD: | 1.8197 |
| logSw: | -2.8761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.805 |
| InChI Key: | DBFMOPAKDBNUOG-UHFFFAOYSA-N |