3,5-bis(3,4-dimethoxyphenyl)-4-methyl-1-[(3-nitrophenyl)methyl]-1H-pyrazole
Chemical Structure Depiction of
3,5-bis(3,4-dimethoxyphenyl)-4-methyl-1-[(3-nitrophenyl)methyl]-1H-pyrazole
3,5-bis(3,4-dimethoxyphenyl)-4-methyl-1-[(3-nitrophenyl)methyl]-1H-pyrazole
Compound characteristics
| Compound ID: | Y505-5681 |
| Compound Name: | 3,5-bis(3,4-dimethoxyphenyl)-4-methyl-1-[(3-nitrophenyl)methyl]-1H-pyrazole |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C27 H27 N3 O6 |
| Smiles: | Cc1c(c2ccc(c(c2)OC)OC)nn(Cc2cccc(c2)[N+]([O-])=O)c1c1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6832 |
| logD: | 4.6832 |
| logSw: | -4.6329 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.103 |
| InChI Key: | VRWOIEIFQJLYOA-UHFFFAOYSA-N |