[(1-benzyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(4-nitrophenyl)methyl]propanedinitrile
Chemical Structure Depiction of
[(1-benzyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(4-nitrophenyl)methyl]propanedinitrile
[(1-benzyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(4-nitrophenyl)methyl]propanedinitrile
Compound characteristics
| Compound ID: | 3259-0061 |
| Compound Name: | [(1-benzyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)(4-nitrophenyl)methyl]propanedinitrile |
| Molecular Weight: | 387.4 |
| Molecular Formula: | C21 H17 N5 O3 |
| Smiles: | CC1C(C(C(C#N)C#N)c2ccc(cc2)[N+]([O-])=O)C(N(Cc2ccccc2)N=1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5738 |
| logD: | -4.6349 |
| logSw: | -2.7977 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 94.5 |
| InChI Key: | WLKNWVQEAWYUDX-UHFFFAOYSA-N |