N-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
N-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0297 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 350.8 |
| Molecular Formula: | C16 H19 Cl N4 O3 |
| Smiles: | Cc1c(c(C)n(CCCC(NCc2ccc(cc2)[Cl])=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7255 |
| logD: | 1.7255 |
| logSw: | -2.8108 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.75 |
| InChI Key: | ACPHMFWAXKFNFJ-UHFFFAOYSA-N |