4-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
4-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8009-6372 |
| Compound Name: | 4-{[3-(adamantan-1-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C30 H30 N4 O |
| Smiles: | CC1/C(=C/c2cn(c3ccccc3)nc2C23CC4CC(CC(C4)C3)C2)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5757 |
| logD: | 6.5757 |
| logSw: | -5.7512 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.253 |
| InChI Key: | ZXYOCRSKASLADZ-UHFFFAOYSA-N |