4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
Chemical Structure Depiction of
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
Compound characteristics
| Compound ID: | C163-0313 |
| Compound Name: | 4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C21 H25 F N6 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)F)n1)NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0866 |
| logD: | 1.0862 |
| logSw: | -2.3883 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.314 |
| InChI Key: | VGUVEHLAOKIIGF-UHFFFAOYSA-N |