methyl 4-(4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
methyl 4-(4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 3871-0268 |
| Compound Name: | methyl 4-(4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoate |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C21 H21 N3 O3 |
| Smiles: | CC1/C(=C/c2ccc(cc2)N(C)C)C(N(c2ccc(cc2)C(=O)OC)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7681 |
| logD: | 3.768 |
| logSw: | -4.1444 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.565 |
| InChI Key: | QOXXDDVRPQWSHD-UHFFFAOYSA-N |