methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | 8008-6414 |
| Compound Name: | methyl 3-acetyl-1-(4-bromophenyl)-4,5-dihydro-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 325.16 |
| Molecular Formula: | C13 H13 Br N2 O3 |
| Smiles: | CC(C1C(CN(c2ccc(cc2)[Br])N=1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5582 |
| logD: | 2.5582 |
| logSw: | -2.5373 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.605 |
| InChI Key: | UWRSOAYRDNKIMN-NSHDSACASA-N |