[(2-iodophenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile
Chemical Structure Depiction of
[(2-iodophenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile
[(2-iodophenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile
Compound characteristics
| Compound ID: | 8001-1315 |
| Compound Name: | [(2-iodophenyl)(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile |
| Molecular Weight: | 378.17 |
| Molecular Formula: | C14 H11 I N4 O |
| Smiles: | CC1C(C(C(C#N)C#N)c2ccccc2I)C(NN=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.763 |
| logD: | -4.861 |
| logSw: | -2.126 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.281 |
| InChI Key: | LQGHVVYSMAHZNL-UHFFFAOYSA-N |