1-methyl-N-[(3-nitrophenyl)carbamothioyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-methyl-N-[(3-nitrophenyl)carbamothioyl]-1H-pyrazole-3-carboxamide
1-methyl-N-[(3-nitrophenyl)carbamothioyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-7575 |
| Compound Name: | 1-methyl-N-[(3-nitrophenyl)carbamothioyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 305.31 |
| Molecular Formula: | C12 H11 N5 O3 S |
| Smiles: | Cn1ccc(C(NC(Nc2cccc(c2)[N+]([O-])=O)=S)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8017 |
| logD: | 1.8005 |
| logSw: | -2.5436 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.313 |
| InChI Key: | MPDBDGMKEDGPIU-UHFFFAOYSA-N |