2-(3,4-dimethylphenyl)-4-(hydroxymethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-(hydroxymethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dimethylphenyl)-4-(hydroxymethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-8587 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-(hydroxymethylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 230.26 |
| Molecular Formula: | C13 H14 N2 O2 |
| Smiles: | CC1\C(=C/O)C(N(c2ccc(C)c(C)c2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0144 |
| logD: | 1.6374 |
| logSw: | -2.3902 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.333 |
| InChI Key: | SREXIBBFHBZZHA-UHFFFAOYSA-N |