4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide
Compound characteristics
| Compound ID: | C163-0087 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}butanamide |
| Molecular Weight: | 448.88 |
| Molecular Formula: | C20 H22 Cl F N6 O3 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)F)n1)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5448 |
| logD: | 1.5445 |
| logSw: | -3.1386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.272 |
| InChI Key: | BXGNYIMMRLMTNT-UHFFFAOYSA-N |