4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile
4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 3268-0165 |
| Compound Name: | 4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzonitrile |
| Molecular Weight: | 461.52 |
| Molecular Formula: | C28 H23 N5 O2 |
| Smiles: | Cc1c(C(c2ccc(C#N)cc2)c2c(C)nn(c3ccccc3)c2O)c(n(c2ccccc2)n1)O |
| Stereo: | ACHIRAL |
| logP: | 3.7266 |
| logD: | 3.1379 |
| logSw: | -4.1119 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.451 |
| InChI Key: | CFBCFCMCPNUPOA-UHFFFAOYSA-N |