N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | Y505-0966 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 381.82 |
| Molecular Formula: | C18 H16 Cl N7 O |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)[Cl])n1)NC(c1nc2ncccn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.897 |
| logD: | 0.8949 |
| logSw: | -2.3739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.834 |
| InChI Key: | XLYCSQSAOIMQHK-UHFFFAOYSA-N |