3-[1',3',5'-trimethyl-2-(4-nitrophenyl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-5-yl]phenol
Chemical Structure Depiction of
3-[1',3',5'-trimethyl-2-(4-nitrophenyl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-5-yl]phenol
3-[1',3',5'-trimethyl-2-(4-nitrophenyl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-5-yl]phenol
Compound characteristics
| Compound ID: | Y505-7202 |
| Compound Name: | 3-[1',3',5'-trimethyl-2-(4-nitrophenyl)-3,4-dihydro-1'H,2H-[3,4'-bipyrazol]-5-yl]phenol |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C21 H21 N5 O3 |
| Smiles: | Cc1c(C2CC(c3cccc(c3)O)=NN2c2ccc(cc2)[N+]([O-])=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6281 |
| logD: | 3.6274 |
| logSw: | -3.6864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.757 |
| InChI Key: | GRVKQXZVPPKUES-FQEVSTJZSA-N |