5-methyl-2-phenyl-4-(propan-2-ylidene)-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-2-phenyl-4-(propan-2-ylidene)-2,4-dihydro-3H-pyrazol-3-one
5-methyl-2-phenyl-4-(propan-2-ylidene)-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 0711-0416 |
| Compound Name: | 5-methyl-2-phenyl-4-(propan-2-ylidene)-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 214.26 |
| Molecular Formula: | C13 H14 N2 O |
| Smiles: | CC(C)=C1C(C)=NN(C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4946 |
| logD: | 2.3991 |
| logSw: | -2.4363 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 25.8583 |
| InChI Key: | ZSQBZSXNYJOIQD-UHFFFAOYSA-N |