[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl]propanedinitrile
Chemical Structure Depiction of
[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl]propanedinitrile
[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl]propanedinitrile
Compound characteristics
| Compound ID: | 8004-2062 |
| Compound Name: | [(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(2-nitrophenyl)methyl]propanedinitrile |
| Molecular Weight: | 297.27 |
| Molecular Formula: | C14 H11 N5 O3 |
| Smiles: | Cc1c(C(C(C#N)C#N)c2ccccc2[N+]([O-])=O)c([nH]n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8783 |
| logD: | 0.5909 |
| logSw: | -1.7576 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.459 |
| InChI Key: | AHRZCKBBODFMPF-CYBMUJFWSA-N |