N-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y505-2967 |
| Compound Name: | N-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 474.86 |
| Molecular Formula: | C22 H15 Cl N8 O3 |
| Smiles: | C(c1cccc(c1)NC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2ncnn12)=O)n1cc(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.432 |
| logD: | 3.432 |
| logSw: | -3.8254 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.7 |
| InChI Key: | JZPISVKBORNCJQ-UHFFFAOYSA-N |