3-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
3-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazine-1-carbonyl}benzonitrile
3-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | F897-1036 |
| Compound Name: | 3-{4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | CC(C)n1c(C)c(c(C)n1)S(N1CCN(CC1)C(c1cccc(C#N)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9438 |
| logD: | 0.9438 |
| logSw: | -2.2043 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.483 |
| InChI Key: | BCNWXAXILTUAMQ-UHFFFAOYSA-N |