4-chloro-1,3-dimethyl-N-{1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-chloro-1,3-dimethyl-N-{1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1H-pyrazole-5-carboxamide
4-chloro-1,3-dimethyl-N-{1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y502-0282 |
| Compound Name: | 4-chloro-1,3-dimethyl-N-{1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 344.8 |
| Molecular Formula: | C16 H17 Cl N6 O |
| Smiles: | Cc1ccc(Cn2cnc(NC(c3c(c(C)nn3C)[Cl])=O)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3194 |
| logD: | 1.8149 |
| logSw: | -3.5046 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.42 |
| InChI Key: | LCAKWMAFODOPIJ-UHFFFAOYSA-N |