4-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile
4-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | F897-0793 |
| Compound Name: | 4-[4-(1-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | CCn1c(C)c(c(C)n1)S(N1CCN(CC1)C(c1ccc(C#N)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4676 |
| logD: | 0.4676 |
| logSw: | -2.0612 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.74 |
| InChI Key: | GSBZRFWYOXSWRN-UHFFFAOYSA-N |