4-({2-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V030-2272 |
| Compound Name: | 4-({2-[4-(1,3-dimethyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 512.66 |
| Molecular Formula: | C30 H36 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1cc(C(N2CCN(CC2)CC(c2cccc(c2)N2CCCC2)OCc2ccc(C#N)cc2)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.857 |
| logD: | 2.8549 |
| logSw: | -2.9521 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.505 |
| InChI Key: | CXBPRUDQOAIDBX-LJAQVGFWSA-N |