4-[9-(4-chlorophenyl)-1,3-dioxohexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl]benzonitrile
Chemical Structure Depiction of
4-[9-(4-chlorophenyl)-1,3-dioxohexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl]benzonitrile
4-[9-(4-chlorophenyl)-1,3-dioxohexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl]benzonitrile
Compound characteristics
| Compound ID: | 8016-1269 |
| Compound Name: | 4-[9-(4-chlorophenyl)-1,3-dioxohexahydro-5H-pyrazolo[1,2-a]pyrrolo[3,4-c]pyrazol-2(1H)-yl]benzonitrile |
| Molecular Weight: | 392.84 |
| Molecular Formula: | C21 H17 Cl N4 O2 |
| Smiles: | C1CN2C3C(C(c4ccc(cc4)[Cl])N2C1)C(N(C3=O)c1ccc(C#N)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0481 |
| logD: | 2.0481 |
| logSw: | -2.9742 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.113 |
| InChI Key: | AIEHYSGHJADWJU-UHFFFAOYSA-N |