C169H147BrF9N37O13 — CID 161191371
3-bromo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide;4-tert-butyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[(4-pyrazol-1-ylphenyl)methyl]oxane-4-carboxamide;N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-4-carboxamide;N-(4-pyrazol-1-ylphenyl)oxane-4-carboxamide;N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide (PubChem CID 161191371) has the molecular formula C169H147BrF9N37O13 and a molecular weight of 3155.17 g/mol. Its IUPAC name is 3-bromo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide;4-tert-butyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[(4-pyrazol-1-ylphenyl)methyl]oxane-4-carboxamide;N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-4-carboxamide;N-(4-pyrazol-1-ylphenyl)oxane-4-carboxamide;N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide.
| Compound Name | 3-bromo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide;4-tert-butyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[(4-pyrazol-1-ylphenyl)methyl]oxane-4-carboxamide;N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-4-carboxamide;N-(4-pyrazol-1-ylphenyl)oxane-4-carboxamide;N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide |
|---|---|
| PubChem CID | 161191371 |
| Molecular Formula | C169H147BrF9N37O13 |
| Molecular Weight | 3155.17 g/mol |
| Exact Mass | 3152.10 |
| IUPAC Name | 3-bromo-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide;4-tert-butyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide;3-phenylmethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;N-[(4-pyrazol-1-ylphenyl)methyl]oxane-4-carboxamide;N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-4-carboxamide;N-(4-pyrazol-1-ylphenyl)oxane-4-carboxamide;N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide |
| SMILES | CC(C)(C)c1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nn2)cc1.COc1cccc(C(=O)NCc2ccc(-n3cccn3)cc2)c1.O=C(NCc1ccc(-n2cccn2)cc1)C1CCOCC1.O=C(NCc1ccc(-n2cccn2)cc1)c1cccc(Br)c1.O=C(NCc1ccc(-n2cccn2)cc1)c1ccncc1.O=C(Nc1ccc(-n2cccn2)cc1)C1CCOCC1.O=C(Nc1ccc(-n2cccn2)cc1)c1ccncc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(OCc2ccccc2)c1.O=C(Nc1cnc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccccc1 |
| InChI | InChI=1S/C28H20F3N5O2.C24H21F3N6O.C20H13F3N6O.C18H17N3O2.C17H14BrN3O.C16H14N4O.C16H19N3O2.C15H12N4O.C15H17N3O2/c29-28(30,31)25-15-24(21-9-5-13-32-16-21)35-36(25)26-12-11-22(17-33-26)34-27(37)20-8-4-10-23(14-20)38-18-19-6-2-1-3-7-19;1-23(2,3)17-8-6-15(7-9-17)22(34)29-20-10-11-21(31-30-20)33-19(24(25,26)27)13-18(32-33)16-5-4-12-28-14-16;21-20(22,23)16-9-15(14-7-4-8-24-10-14)28-29(16)18-12-25-17(11-26-18)27-19(30)13-5-2-1-3-6-13;1-23-17-5-2-4-15(12-17)18(22)19-13-14-6-8-16(9-7-14)21-11-3-10-20-21;18-15-4-1-3-14(11-15)17(22)19-12-13-5-7-16(8-6-13)21-10-2-9-20-21;21-16(14-6-9-17-10-7-14)18-12-13-2-4-15(5-3-13)20-11-1-8-19-20;20-16(14-6-10-21-11-7-14)17-12-13-2-4-15(5-3-13)19-9-1-8-18-19;20-15(12-6-9-16-10-7-12)18-13-2-4-14(5-3-13)19-11-1-8-17-19;19-15(12-6-10-20-11-7-12)17-13-2-4-14(5-3-13)18-9-1-8-16-18/h1-17H,18H2,(H,34,37);4-14H,1-3H3,(H,29,30,34);1-12H,(H,25,27,30);2-12H,13H2,1H3,(H,19,22);1-11H,12H2,(H,19,22);1-11H,12H2,(H,18,21);1-5,8-9,14H,6-7,10-12H2,(H,17,20);1-11H,(H,18,20);1-5,8-9,12H,6-7,10-11H2,(H,17,19) |
| InChIKey | UTTNXGKMNJGCGQ-UHFFFAOYSA-N |
| XLogP | 30.71 |
| TPSA | 588.10 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 229 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3155.17 |
| LogP ≤ 5 | 30.71 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 41 |