[(4-bromophenyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile
Chemical Structure Depiction of
[(4-bromophenyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile
[(4-bromophenyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile
Compound characteristics
| Compound ID: | 3259-0069 |
| Compound Name: | [(4-bromophenyl)(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]propanedinitrile |
| Molecular Weight: | 407.27 |
| Molecular Formula: | C20 H15 Br N4 O |
| Smiles: | CC1C(C(C(C#N)C#N)c2ccc(cc2)[Br])C(N(c2ccccc2)N=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2578 |
| logD: | -4.6639 |
| logSw: | -3.4333 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.699 |
| InChI Key: | XREZHCRBWZQGBU-UHFFFAOYSA-N |