N-(2-cyanoethyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methylthiourea
Chemical Structure Depiction of
N-(2-cyanoethyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methylthiourea
N-(2-cyanoethyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methylthiourea
Compound characteristics
| Compound ID: | 8015-0325 |
| Compound Name: | N-(2-cyanoethyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methylthiourea |
| Molecular Weight: | 329.42 |
| Molecular Formula: | C16 H19 N5 O S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(N(C)CCC#N)=S |
| Stereo: | ACHIRAL |
| logP: | 0.5391 |
| logD: | 0.5385 |
| logSw: | -1.7956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.762 |
| InChI Key: | KQEKMHNRAMXWJW-UHFFFAOYSA-N |