3-(4-methoxyphenyl)-2-[4-(propan-2-yl)phenyl]tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-2-[4-(propan-2-yl)phenyl]tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
3-(4-methoxyphenyl)-2-[4-(propan-2-yl)phenyl]tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one
Compound characteristics
| Compound ID: | C614-5905 |
| Compound Name: | 3-(4-methoxyphenyl)-2-[4-(propan-2-yl)phenyl]tetrahydro-1H,5H-pyrazolo[1,2-a][1,2,4]triazol-1-one |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C21 H25 N3 O2 |
| Smiles: | CC(C)c1ccc(cc1)N1C(c2ccc(cc2)OC)N2CCCN2C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5532 |
| logD: | 4.5532 |
| logSw: | -4.2554 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.7838 |
| InChI Key: | QBNMHEDRMHCFQL-FQEVSTJZSA-N |