C352H291F56N57O13 — CID 158055723
1-[5-[3-[1-acetyl-3-(4-methoxyphenyl)pyrazol-5-yl]phenyl]-3-(4-methoxyphenyl)pyrazol-1-yl]ethanone;1-[3-[4-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;6-[3-[3-[5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole;2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine;1-ethyl-5-[3-[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]phenyl]-3-(4-methoxyphenyl)pyrazole;1-ethyl-3-[4-(1-ethyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;3-[3-methoxy-5-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenyl]-5-(2-methylphenyl)-1H-pyrazole;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole;5-(2-methoxyphenyl)-3-[4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(2-methylphenyl)-3-[4-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;molecular fluorine;5-phenyl-3-[6-(5-phenyl-1H-pyrazol-3-yl)naphthalen-2-yl]-1H-pyrazole;5-phenyl-3-[7-(5-phenyl-1H-pyrazol-3-yl)naphthalen-2-yl]-1H-pyrazole;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole (PubChem CID 158055723) has the molecular formula C352H291F56N57O13 and a molecular weight of 6591.47 g/mol. Its IUPAC name is 1-[5-[3-[1-acetyl-3-(4-methoxyphenyl)pyrazol-5-yl]phenyl]-3-(4-methoxyphenyl)pyrazol-1-yl]ethanone;1-[3-[4-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;6-[3-[3-[5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole;2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine;1-ethyl-5-[3-[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]phenyl]-3-(4-methoxyphenyl)pyrazole;1-ethyl-3-[4-(1-ethyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;3-[3-methoxy-5-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenyl]-5-(2-methylphenyl)-1H-pyrazole;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole;5-(2-methoxyphenyl)-3-[4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(2-methylphenyl)-3-[4-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;molecular fluorine;5-phenyl-3-[6-(5-phenyl-1H-pyrazol-3-yl)naphthalen-2-yl]-1H-pyrazole;5-phenyl-3-[7-(5-phenyl-1H-pyrazol-3-yl)naphthalen-2-yl]-1H-pyrazole;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole.
| Compound Name | 1-[5-[3-[1-acetyl-3-(4-methoxyphenyl)pyrazol-5-yl]phenyl]-3-(4-methoxyphenyl)pyrazol-1-yl]ethanone;1-[3-[4-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;6-[3-[3-[5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole;2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine;1-ethyl-5-[3-[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]phenyl]-3-(4-methoxyphenyl)pyrazole;1-ethyl-3-[4-(1-ethyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;3-[3-methoxy-5-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenyl]-5-(2-methylphenyl)-1H-pyrazole;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole;5-(2-methoxyphenyl)-3-[4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(2-methylphenyl)-3-[4-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;molecular fluorine;5-phenyl-3-[6-(5-phenyl-1H-pyrazol-3-yl)naphthalen-2-yl]-1H-pyrazole;5-phenyl-3-[7-(5-phenyl-1H-pyrazol-3-yl)naphthalen-2-yl]-1H-pyrazole;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole |
|---|---|
| PubChem CID | 158055723 |
| Molecular Formula | C352H291F56N57O13 |
| Molecular Weight | 6591.47 g/mol |
| Exact Mass | 6587.30 |
| IUPAC Name | 1-[5-[3-[1-acetyl-3-(4-methoxyphenyl)pyrazol-5-yl]phenyl]-3-(4-methoxyphenyl)pyrazol-1-yl]ethanone;1-[3-[4-(1-acetyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazol-1-yl]ethanone;6-[3-[3-[5-(3H-benzimidazol-5-yl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-1H-benzimidazole;2,6-bis(3-phenyl-1H-pyrazol-5-yl)pyridine;1-ethyl-5-[3-[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]phenyl]-3-(4-methoxyphenyl)pyrazole;1-ethyl-3-[4-(1-ethyl-5-phenylpyrazol-3-yl)phenyl]-5-phenylpyrazole;3-[3-methoxy-5-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenyl]-5-(2-methylphenyl)-1H-pyrazole;5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-4-methyl-1H-pyrazol-3-yl]phenyl]-4-methyl-1H-pyrazole;5-(2-methoxyphenyl)-3-[4-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;5-(2-methylphenyl)-3-[4-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole;molecular fluorine;5-phenyl-3-[6-(5-phenyl-1H-pyrazol-3-yl)naphthalen-2-yl]-1H-pyrazole;5-phenyl-3-[7-(5-phenyl-1H-pyrazol-3-yl)naphthalen-2-yl]-1H-pyrazole;5-phenyl-3-[3-(5-phenyl-1H-pyrazol-3-yl)phenyl]-1H-pyrazole |
| SMILES | CC(=O)n1nc(-c2ccc(-c3cc(-c4ccccc4)n(C(C)=O)n3)cc2)cc1-c1ccccc1.CCn1nc(-c2ccc(-c3cc(-c4ccccc4)n(CC)n3)cc2)cc1-c1ccccc1.CCn1nc(-c2ccc(OC)cc2)cc1-c1cccc(-c2cc(-c3ccc(OC)cc3)nn2CC)c1.COc1cc(-c2cc(-c3ccccc3C)[nH]n2)cc(-c2cc(-c3ccccc3C)[nH]n2)c1.COc1ccc(-c2[nH]nc(-c3cccc(-c4n[nH]c(-c5ccc(OC)cc5)c4C)c3)c2C)cc1.COc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccc(OC)cc5)nn4C(C)=O)c3)n(C(C)=O)n2)cc1.COc1ccccc1-c1cc(-c2ccc(-c3cc(-c4ccccc4OC)[nH]n3)cc2)n[nH]1.Cc1ccccc1-c1cc(-c2ccc(-c3cc(-c4ccccc4C)[nH]n3)cc2)n[nH]1.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.FF.c1cc(-c2cc(-c3ccc4nc[nH]c4c3)[nH]n2)cc(-c2cc(-c3ccc4nc[nH]c4c3)[nH]n2)c1.c1ccc(-c2cc(-c3ccc4cc(-c5cc(-c6ccccc6)[nH]n5)ccc4c3)n[nH]2)cc1.c1ccc(-c2cc(-c3ccc4ccc(-c5cc(-c6ccccc6)[nH]n5)cc4c3)n[nH]2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)[nH]n4)c3)n[nH]2)cc1.c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n[nH]4)n3)[nH]n2)cc1 |
| InChI | InChI=1S/C30H26N4O4.C30H30N4O2.C28H26N4O2.C28H22N4O2.2C28H20N4.C28H26N4.C27H24N4O.C26H18N8.C26H22N4O2.C26H22N4.C24H18N4.C23H17N5.28F2/c1-19(35)33-29(17-27(31-33)21-8-12-25(37-3)13-9-21)23-6-5-7-24(16-23)30-18-28(32-34(30)20(2)36)22-10-14-26(38-4)15-11-22;1-5-33-29(19-27(31-33)21-10-14-25(35-3)15-11-21)23-8-7-9-24(18-23)30-20-28(32-34(30)6-2)22-12-16-26(36-4)17-13-22;1-17-25(19-8-12-23(33-3)13-9-19)29-31-27(17)21-6-5-7-22(16-21)28-18(2)26(30-32-28)20-10-14-24(34-4)15-11-20;1-19(33)31-27(23-9-5-3-6-10-23)17-25(29-31)21-13-15-22(16-14-21)26-18-28(32(30-26)20(2)34)24-11-7-4-8-12-24;1-3-7-20(8-4-1)25-17-27(31-29-25)22-13-11-19-12-14-23(16-24(19)15-22)28-18-26(30-32-28)21-9-5-2-6-10-21;1-3-7-19(8-4-1)25-17-27(31-29-25)23-13-11-22-16-24(14-12-21(22)15-23)28-18-26(30-32-28)20-9-5-2-6-10-20;1-3-31-27(23-11-7-5-8-12-23)19-25(29-31)21-15-17-22(18-16-21)26-20-28(32(4-2)30-26)24-13-9-6-10-14-24;1-17-8-4-6-10-22(17)26-15-24(28-30-26)19-12-20(14-21(13-19)32-3)25-16-27(31-29-25)23-11-7-5-9-18(23)2;1-2-15(21-11-23(33-31-21)17-4-6-19-25(9-17)29-13-27-19)8-16(3-1)22-12-24(34-32-22)18-5-7-20-26(10-18)30-14-28-20;1-31-25-9-5-3-7-19(25)23-15-21(27-29-23)17-11-13-18(14-12-17)22-16-24(30-28-22)20-8-4-6-10-26(20)32-2;1-17-7-3-5-9-21(17)25-15-23(27-29-25)19-11-13-20(14-12-19)24-16-26(30-28-24)22-10-6-4-8-18(22)2;1-3-8-17(9-4-1)21-15-23(27-25-21)19-12-7-13-20(14-19)24-16-22(26-28-24)18-10-5-2-6-11-18;1-3-8-16(9-4-1)20-14-22(27-25-20)18-12-7-13-19(24-18)23-15-21(26-28-23)17-10-5-2-6-11-17;28*1-2/h5-18H,1-4H3;7-20H,5-6H2,1-4H3;5-16H,1-4H3,(H,29,31)(H,30,32);3-18H,1-2H3;2*1-18H,(H,29,31)(H,30,32);5-20H,3-4H2,1-2H3;4-16H,1-3H3,(H,28,30)(H,29,31);1-14H,(H,27,29)(H,28,30)(H,31,33)(H,32,34);3-16H,1-2H3,(H,27,29)(H,28,30);3-16H,1-2H3,(H,27,29)(H,28,30);1-16H,(H,25,27)(H,26,28);1-15H,(H,25,27)(H,26,28);;;;;;;;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | FKAJFMOERUJYNS-UHFFFAOYSA-N |
| XLogP | 104.83 |
| TPSA | 880.40 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 478 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6591.47 |
| LogP ≤ 5 | 104.83 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 50 |