N-(3-chloro-4-fluorophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0132 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-4-(5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 340.74 |
| Molecular Formula: | C14 H14 Cl F N4 O3 |
| Smiles: | Cc1cc(nn1CCCC(Nc1ccc(c(c1)[Cl])F)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9015 |
| logD: | 1.8575 |
| logSw: | -3.0114 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.14 |
| InChI Key: | LPDHTUCWLRCKKF-UHFFFAOYSA-N |