C313H271F3I2N46O24S — CID 159415552
2-[3-(3-azidophenyl)-1H-pyrazol-5-yl]-5-iodophenol;2-(5-tert-butyl-1H-pyrazol-3-yl)phenol;2-(3-cyclopenta-1,4-dien-1-yl-1H-pyrazol-5-yl)phenol;2-(5-cyclopentyl-1H-pyrazol-3-yl)phenol;2-(5-ethyl-1H-pyrazol-3-yl)phenol;2-[3-(2-fluoro-5-methylphenyl)-1H-pyrazol-5-yl]phenol;5-(2-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole;2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol;5-(furan-2-yl)-3-(1-methoxynaphthalen-2-yl)-1H-pyrazole;5-(furan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole;2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]naphthalen-1-ol;5-iodo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol;5-(2-methoxyphenyl)-3-phenyl-1H-pyrazole;2-[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenol;2-(5-pentyl-1H-pyrazol-3-yl)phenol;bis(2-(3-phenyl-1H-pyrazol-5-yl)phenol);2-(5-phenyl-2H-pyrrol-3-yl)phenol;2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenol;2-(5-pyridin-2-yl-1H-pyrazol-3-yl)phenol;2-(5-thiophen-2-yl-1H-pyrazol-3-yl)phenol (PubChem CID 159415552) has the molecular formula C313H271F3I2N46O24S and a molecular weight of 5403.78 g/mol. Its IUPAC name is 2-[3-(3-azidophenyl)-1H-pyrazol-5-yl]-5-iodophenol;2-(5-tert-butyl-1H-pyrazol-3-yl)phenol;2-(3-cyclopenta-1,4-dien-1-yl-1H-pyrazol-5-yl)phenol;2-(5-cyclopentyl-1H-pyrazol-3-yl)phenol;2-(5-ethyl-1H-pyrazol-3-yl)phenol;2-[3-(2-fluoro-5-methylphenyl)-1H-pyrazol-5-yl]phenol;5-(2-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole;2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol;5-(furan-2-yl)-3-(1-methoxynaphthalen-2-yl)-1H-pyrazole;5-(furan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole;2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]naphthalen-1-ol;5-iodo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol;5-(2-methoxyphenyl)-3-phenyl-1H-pyrazole;2-[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenol;2-(5-pentyl-1H-pyrazol-3-yl)phenol;bis(2-(3-phenyl-1H-pyrazol-5-yl)phenol);2-(5-phenyl-2H-pyrrol-3-yl)phenol;2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenol;2-(5-pyridin-2-yl-1H-pyrazol-3-yl)phenol;2-(5-thiophen-2-yl-1H-pyrazol-3-yl)phenol.
| Compound Name | 2-[3-(3-azidophenyl)-1H-pyrazol-5-yl]-5-iodophenol;2-(5-tert-butyl-1H-pyrazol-3-yl)phenol;2-(3-cyclopenta-1,4-dien-1-yl-1H-pyrazol-5-yl)phenol;2-(5-cyclopentyl-1H-pyrazol-3-yl)phenol;2-(5-ethyl-1H-pyrazol-3-yl)phenol;2-[3-(2-fluoro-5-methylphenyl)-1H-pyrazol-5-yl]phenol;5-(2-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole;2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol;5-(furan-2-yl)-3-(1-methoxynaphthalen-2-yl)-1H-pyrazole;5-(furan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole;2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]naphthalen-1-ol;5-iodo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol;5-(2-methoxyphenyl)-3-phenyl-1H-pyrazole;2-[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenol;2-(5-pentyl-1H-pyrazol-3-yl)phenol;bis(2-(3-phenyl-1H-pyrazol-5-yl)phenol);2-(5-phenyl-2H-pyrrol-3-yl)phenol;2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenol;2-(5-pyridin-2-yl-1H-pyrazol-3-yl)phenol;2-(5-thiophen-2-yl-1H-pyrazol-3-yl)phenol |
|---|---|
| PubChem CID | 159415552 |
| Molecular Formula | C313H271F3I2N46O24S |
| Molecular Weight | 5403.78 g/mol |
| Exact Mass | 5399.92 |
| IUPAC Name | 2-[3-(3-azidophenyl)-1H-pyrazol-5-yl]-5-iodophenol;2-(5-tert-butyl-1H-pyrazol-3-yl)phenol;2-(3-cyclopenta-1,4-dien-1-yl-1H-pyrazol-5-yl)phenol;2-(5-cyclopentyl-1H-pyrazol-3-yl)phenol;2-(5-ethyl-1H-pyrazol-3-yl)phenol;2-[3-(2-fluoro-5-methylphenyl)-1H-pyrazol-5-yl]phenol;5-(2-fluorophenyl)-3-(2-methoxyphenyl)-1H-pyrazole;2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]phenol;5-(furan-2-yl)-3-(1-methoxynaphthalen-2-yl)-1H-pyrazole;5-(furan-2-yl)-3-(2-methoxyphenyl)-1H-pyrazole;2-[5-(furan-2-yl)-1-methylpyrazol-3-yl]naphthalen-1-ol;5-iodo-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol;5-(2-methoxyphenyl)-3-phenyl-1H-pyrazole;2-[3-(3-methylphenyl)-1H-pyrazol-5-yl]phenol;2-(5-pentyl-1H-pyrazol-3-yl)phenol;bis(2-(3-phenyl-1H-pyrazol-5-yl)phenol);2-(5-phenyl-2H-pyrrol-3-yl)phenol;2-(3-pyridin-3-yl-1H-pyrazol-5-yl)phenol;2-(5-pyridin-2-yl-1H-pyrazol-3-yl)phenol;2-(5-thiophen-2-yl-1H-pyrazol-3-yl)phenol |
| SMILES | CC(C)(C)c1cc(-c2ccccc2O)n[nH]1.CCCCCc1cc(-c2ccccc2O)n[nH]1.CCc1cc(-c2ccccc2O)n[nH]1.COc1c(-c2cc(-c3ccco3)[nH]n2)ccc2ccccc12.COc1ccccc1-c1cc(-c2ccccc2)n[nH]1.COc1ccccc1-c1cc(-c2ccccc2F)[nH]n1.COc1ccccc1-c1cc(-c2ccco2)[nH]n1.Cc1ccc(-c2cc(-c3ccc(I)cc3O)[nH]n2)cc1.Cc1ccc(F)c(-c2cc(-c3ccccc3O)[nH]n2)c1.Cc1cccc(-c2cc(-c3ccccc3O)[nH]n2)c1.Cn1nc(-c2ccc3ccccc3c2O)cc1-c1ccco1.Oc1ccccc1-c1cc(-c2ccccc2)n[nH]1.Oc1ccccc1-c1cc(-c2ccccc2)n[nH]1.Oc1ccccc1-c1cc(-c2ccccc2F)[nH]n1.Oc1ccccc1-c1cc(-c2ccccn2)[nH]n1.Oc1ccccc1-c1cc(-c2cccnc2)n[nH]1.Oc1ccccc1-c1cc(-c2cccs2)[nH]n1.Oc1ccccc1-c1cc(C2=CCC=C2)n[nH]1.Oc1ccccc1-c1cc(C2CCCC2)[nH]n1.Oc1ccccc1C1=CC(c2ccccc2)=NC1.[N-]=[N+]=Nc1cccc(-c2cc(-c3ccc(I)cc3O)[nH]n2)c1 |
| InChI | InChI=1S/2C18H14N2O2.2C16H13FN2O.C16H13IN2O.2C16H14N2O.C16H13NO.C15H11FN2O.C15H10IN5O.2C15H12N2O.2C14H11N3O.C14H12N2O2.C14H16N2O.C14H12N2O.C14H18N2O.C13H10N2OS.C13H16N2O.C11H12N2O/c1-21-18-13-6-3-2-5-12(13)8-9-14(18)15-11-16(20-19-15)17-7-4-10-22-17;1-20-16(17-7-4-10-22-17)11-15(19-20)14-9-8-12-5-2-3-6-13(12)18(14)21;1-20-16-9-5-3-7-12(16)15-10-14(18-19-15)11-6-2-4-8-13(11)17;1-10-6-7-13(17)12(8-10)15-9-14(18-19-15)11-4-2-3-5-16(11)20;1-10-2-4-11(5-3-10)14-9-15(19-18-14)13-7-6-12(17)8-16(13)20;1-11-5-4-6-12(9-11)14-10-15(18-17-14)13-7-2-3-8-16(13)19;1-19-16-10-6-5-9-13(16)15-11-14(17-18-15)12-7-3-2-4-8-12;18-16-9-5-4-8-14(16)13-10-15(17-11-13)12-6-2-1-3-7-12;16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19;16-10-4-5-12(15(22)7-10)14-8-13(19-20-14)9-2-1-3-11(6-9)18-21-17;2*18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11;18-14-7-2-1-5-10(14)12-9-13(17-16-12)11-6-3-4-8-15-11;18-14-6-2-1-5-11(14)13-8-12(16-17-13)10-4-3-7-15-9-10;1-17-13-6-3-2-5-10(13)11-9-12(16-15-11)14-7-4-8-18-14;2*17-14-8-4-3-7-11(14)13-9-12(15-16-13)10-5-1-2-6-10;1-2-3-4-7-11-10-13(16-15-11)12-8-5-6-9-14(12)17;16-12-5-2-1-4-9(12)10-8-11(15-14-10)13-6-3-7-17-13;1-13(2,3)12-8-10(14-15-12)9-6-4-5-7-11(9)16;1-2-8-7-10(13-12-8)9-5-3-4-6-11(9)14/h2-11H,1H3,(H,19,20);2-11,21H,1H3;2-10H,1H3,(H,18,19);2*2-9,20H,1H3,(H,18,19);2-10,19H,1H3,(H,17,18);2-11H,1H3,(H,17,18);1-10,18H,11H2;1-9,19H,(H,17,18);1-8,22H,(H,19,20);2*1-10,18H,(H,16,17);2*1-9,18H,(H,16,17);2-9H,1H3,(H,15,16);3-4,7-10,17H,1-2,5-6H2,(H,15,16);1,3-9,17H,2H2,(H,15,16);5-6,8-10,17H,2-4,7H2,1H3,(H,15,16);1-8,16H,(H,14,15);4-8,16H,1-3H3,(H,14,15);3-7,14H,2H2,1H3,(H,12,13) |
| InChIKey | LPCTTYNOORSTEN-UHFFFAOYSA-N |
| XLogP | 75.18 |
| TPSA | 1069.89 Ų |
| H-Bond Donors | 36 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 389 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5403.78 |
| LogP ≤ 5 | 75.18 |
| H-Bond Donors ≤ 5 | 36 |
| H-Bond Acceptors ≤ 10 | 50 |