1-(adamantan-1-yl)-N-(3-chloro-4-fluorophenyl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(3-chloro-4-fluorophenyl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(3-chloro-4-fluorophenyl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | C301-3352 |
| Compound Name: | 1-(adamantan-1-yl)-N-(3-chloro-4-fluorophenyl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 418.85 |
| Molecular Formula: | C20 H20 Cl F N4 O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)n1cc(c(C(Nc2ccc(c(c2)[Cl])F)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1002 |
| logD: | 3.5817 |
| logSw: | -5.5969 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.006 |
| InChI Key: | KBWYBMLWHRYWOT-UHFFFAOYSA-N |