methyl (3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)acetate
Chemical Structure Depiction of
methyl (3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)acetate
methyl (3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)acetate
Compound characteristics
| Compound ID: | Y020-8345 |
| Compound Name: | methyl (3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)acetate |
| Molecular Weight: | 246.26 |
| Molecular Formula: | C13 H14 N2 O3 |
| Smiles: | CC1C(CC(=O)OC)C(N(c2ccccc2)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2201 |
| logD: | 0.8545 |
| logSw: | -1.8237 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.437 |
| InChI Key: | XNVYDOIXJOVBJN-NSHDSACASA-N |