C202H214F3N47O25 — CID 157055832
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrazole-5-carbonylamino)propyl]-1H-pyrazole-5-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 157055832) has the molecular formula C202H214F3N47O25 and a molecular weight of 3757.23 g/mol. Its IUPAC name is N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrazole-5-carbonylamino)propyl]-1H-pyrazole-5-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide.
| Compound Name | N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrazole-5-carbonylamino)propyl]-1H-pyrazole-5-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 157055832 |
| Molecular Formula | C202H214F3N47O25 |
| Molecular Weight | 3757.23 g/mol |
| Exact Mass | 3754.69 |
| IUPAC Name | N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-ethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;4-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-(oxane-2-carbonylamino)propyl]-3-phenyl-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1H-pyrazole-5-carboxamide;3-phenyl-N-[3-(1H-pyrazole-5-carbonylamino)propyl]-1H-pyrazole-5-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide |
| SMILES | CC(C)(C)c1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.CCc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)o1.Cc1ccnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.Cn1cnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)n[nH]2)c1.O=C(Cc1c[nH]c2ccccc12)NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNC(=O)C1CCCCO1)c1cc(-c2ccccc2)n[nH]1.O=C(NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc(C(F)(F)F)n1.O=C(NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccn[nH]1.O=C(NCCCNC(=O)c1occc1-c1ccccc1)c1cc(-c2ccccc2)n[nH]1 |
| InChI | InChI=1S/C24H22N4O3.C23H23N5O2.C22H26N4O3.C20H18F3N5O2.C20H21N5O2.C20H22N4O3.C19H20N4O3.C19H24N4O3.C18H20N6O2.C17H18N6O2/c29-23(21-16-20(27-28-21)18-10-5-2-6-11-18)25-13-7-14-26-24(30)22-19(12-15-31-22)17-8-3-1-4-9-17;29-22(13-17-15-26-19-10-5-4-9-18(17)19)24-11-6-12-25-23(30)21-14-20(27-28-21)16-7-2-1-3-8-16;1-22(2,3)19-11-10-18(29-19)21(28)24-13-7-12-23-20(27)17-14-16(25-26-17)15-8-5-4-6-9-15;21-20(22,23)17-9-4-8-14(26-17)18(29)24-10-5-11-25-19(30)16-12-15(27-28-16)13-6-2-1-3-7-13;1-14-8-11-21-17(12-14)19(26)22-9-5-10-23-20(27)18-13-16(24-25-18)15-6-3-2-4-7-15;1-2-15-9-10-18(27-15)20(26)22-12-6-11-21-19(25)17-13-16(23-24-17)14-7-4-3-5-8-14;1-13-8-9-17(26-13)19(25)21-11-5-10-20-18(24)16-12-15(22-23-16)14-6-3-2-4-7-14;24-18(16-13-15(22-23-16)14-7-2-1-3-8-14)20-10-6-11-21-19(25)17-9-4-5-12-26-17;1-24-11-16(21-12-24)18(26)20-9-5-8-19-17(25)15-10-14(22-23-15)13-6-3-2-4-7-13;24-16(13-7-10-20-21-13)18-8-4-9-19-17(25)15-11-14(22-23-15)12-5-2-1-3-6-12/h1-6,8-12,15-16H,7,13-14H2,(H,25,29)(H,26,30)(H,27,28);1-5,7-10,14-15,26H,6,11-13H2,(H,24,29)(H,25,30)(H,27,28);4-6,8-11,14H,7,12-13H2,1-3H3,(H,23,27)(H,24,28)(H,25,26);1-4,6-9,12H,5,10-11H2,(H,24,29)(H,25,30)(H,27,28);2-4,6-8,11-13H,5,9-10H2,1H3,(H,22,26)(H,23,27)(H,24,25);3-5,7-10,13H,2,6,11-12H2,1H3,(H,21,25)(H,22,26)(H,23,24);2-4,6-9,12H,5,10-11H2,1H3,(H,20,24)(H,21,25)(H,22,23);1-3,7-8,13,17H,4-6,9-12H2,(H,20,24)(H,21,25)(H,22,23);2-4,6-7,10-12H,5,8-9H2,1H3,(H,19,25)(H,20,26)(H,22,23);1-3,5-7,10-11H,4,8-9H2,(H,18,24)(H,19,25)(H,20,21)(H,22,23) |
| InChIKey | AASYWLMMYGSQMP-UHFFFAOYSA-N |
| XLogP | 25.71 |
| TPSA | 1018.66 Ų |
| H-Bond Donors | 32 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 73 |
| Heavy Atoms | 277 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3757.23 |
| LogP ≤ 5 | 25.71 |
| H-Bond Donors ≤ 5 | 32 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|