C122H113N21O — CID 157249175
2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethanol;9-ethyl-3-[5-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(2-methyl-1H-indol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-4-ylpyrazol-1-yl)carbazole (PubChem CID 157249175) has the molecular formula C122H113N21O and a molecular weight of 1889.39 g/mol. Its IUPAC name is 2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethanol;9-ethyl-3-[5-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(2-methyl-1H-indol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-4-ylpyrazol-1-yl)carbazole.
| Compound Name | 2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethanol;9-ethyl-3-[5-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(2-methyl-1H-indol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-4-ylpyrazol-1-yl)carbazole |
|---|---|
| PubChem CID | 157249175 |
| Molecular Formula | C122H113N21O |
| Molecular Weight | 1889.39 g/mol |
| Exact Mass | 1887.94 |
| IUPAC Name | 2-[2-(9-ethylcarbazol-3-yl)pyrazol-3-yl]ethanol;9-ethyl-3-[5-(2-ethyl-3H-benzimidazol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(2-methyl-1H-indol-5-yl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-[4-(2-piperazin-1-ylethyl)phenyl]pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-4-ylpyrazol-1-yl)carbazole |
| SMILES | CCc1nc2ccc(-c3ccnn3-c3ccc4c(c3)c3ccccc3n4CC)cc2[nH]1.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc(CCN4CCNCC4)cc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccc4[nH]c(C)cc4c3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3-c3ccncc3)ccc21.CCn1c2ccccc2c2cc(-n3nccc3CCO)ccc21 |
| InChI | InChI=1S/C29H31N5.C26H23N5.C26H22N4.C22H18N4.C19H19N3O/c1-2-33-28-6-4-3-5-25(28)26-21-24(11-12-29(26)33)34-27(13-15-31-34)23-9-7-22(8-10-23)14-18-32-19-16-30-17-20-32;1-3-26-28-21-11-9-17(15-22(21)29-26)23-13-14-27-31(23)18-10-12-25-20(16-18)19-7-5-6-8-24(19)30(25)4-2;1-3-29-25-7-5-4-6-21(25)22-16-20(9-11-26(22)29)30-24(12-13-27-30)18-8-10-23-19(15-18)14-17(2)28-23;1-2-25-21-6-4-3-5-18(21)19-15-17(7-8-22(19)25)26-20(11-14-24-26)16-9-12-23-13-10-16;1-2-21-18-6-4-3-5-16(18)17-13-15(7-8-19(17)21)22-14(10-12-23)9-11-20-22/h3-13,15,21,30H,2,14,16-20H2,1H3;5-16H,3-4H2,1-2H3,(H,28,29);4-16,28H,3H2,1-2H3;3-15H,2H2,1H3;3-9,11,13,23H,2,10,12H2,1H3 |
| InChIKey | AWDGEAJJTSUXPT-UHFFFAOYSA-N |
| XLogP | 26.27 |
| TPSA | 206.61 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 144 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1889.39 |
| LogP ≤ 5 | 26.27 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |