N-[(2-cyanophenyl)carbamothioyl]-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(2-cyanophenyl)carbamothioyl]-1-methyl-1H-pyrazole-3-carboxamide
N-[(2-cyanophenyl)carbamothioyl]-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y508-6971 |
| Compound Name: | N-[(2-cyanophenyl)carbamothioyl]-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 285.32 |
| Molecular Formula: | C13 H11 N5 O S |
| Smiles: | Cn1ccc(C(NC(Nc2ccccc2C#N)=S)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3923 |
| logD: | 1.3908 |
| logSw: | -2.308 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.29 |
| InChI Key: | YXLJEEHHXZFETL-UHFFFAOYSA-N |