C86H79Cl2FN20O8 — CID 158244456
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 158244456) has the molecular formula C86H79Cl2FN20O8 and a molecular weight of 1610.61 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
| Compound Name | N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide |
|---|---|
| PubChem CID | 158244456 |
| Molecular Formula | C86H79Cl2FN20O8 |
| Molecular Weight | 1610.61 g/mol |
| Exact Mass | 1608.58 |
| IUPAC Name | N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide |
| SMILES | COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)n[nH]2)cc1.C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(Cl)c1.C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccncc2)n[nH]1 |
| InChI | InChI=1S/C18H18N4O2.C17H15ClN4O2.C17H15ClN4O.C17H15FN4O.C17H16N4O2/c1-12(13-3-5-15(24-2)6-4-13)20-18(23)17-11-16(21-22-17)14-7-9-19-10-8-14;18-13-3-1-2-12(8-13)16(10-23)20-17(24)15-9-14(21-22-15)11-4-6-19-7-5-11;2*1-11(13-3-2-4-14(18)9-13)20-17(23)16-10-15(21-22-16)12-5-7-19-8-6-12;22-11-16(12-4-2-1-3-5-12)19-17(23)15-10-14(20-21-15)13-6-8-18-9-7-13/h3-12H,1-2H3,(H,20,23)(H,21,22);1-9,16,23H,10H2,(H,20,24)(H,21,22);2*2-11H,1H3,(H,20,23)(H,21,22);1-10,16,22H,11H2,(H,19,23)(H,20,21)/t12-;16-;2*11-;16-/m11111/s1 |
| InChIKey | GFYJPDMLLQEWRW-REDOOOGFSA-N |
| XLogP | 14.21 |
| TPSA | 403.04 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 117 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1610.61 |
| LogP ≤ 5 | 14.21 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 18 |