N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | Y505-2813 |
| Compound Name: | N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(3-nitrophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 458.41 |
| Molecular Formula: | C22 H15 F N8 O3 |
| Smiles: | C(c1ccc(cc1)F)n1ccc(NC(c2cc(c3cccc(c3)[N+]([O-])=O)nc3ncnn23)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2942 |
| logD: | 3.2921 |
| logSw: | -3.4997 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.15 |
| InChI Key: | FKYVSPFSIYOKDY-UHFFFAOYSA-N |