About 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate)
5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate) (PubChem CID 167588562) has the molecular formula C199H172N44O24S8
and a molecular weight of 3820.38 g/mol. Its IUPAC name is 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate).
Frequently Asked Questions
What is the IUPAC name of 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate)?
The IUPAC name of 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate) (CID 167588562) is 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate).
What is the SMILES notation for 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate)?
The canonical SMILES for 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate) is C#CCCc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1/N=N/c1ccccc1OCC.CCCCc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1/N=N/c1ccccc1C(=O)OC.CCOc1ccccc1/N=N/c1c(C)[nH]n(-c2nc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cs2)c1=O.COC(=O)c1ccccc1/N=N/c1c(-c2ccccc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.COC(=O)c1ccccc1/N=N/c1c(-c2cccnc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.COC(=O)c1ccccc1/N=N/c1c(-c2cccnc2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.COC(=O)c1ccccc1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.COC(=O)c1ccccc1/N=N/c1c(C2CCCCC2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.
What is the InChIKey of 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate)?
The InChIKey is GCGLJJCNBZJZNK-SOCZXLJISA-N. The full InChI is InChI=1S/C28H31N7O4S.C26H25N5O3S.C26H19N5O3S.2C25H18N6O3S.C24H23N5O3S.C24H21N5O2S.C21H17N5O3S/c1-3-39-24-7-5-4-6-22(24)31-32-25-19(2)33-35(27(25)37)28-30-23(18-40-28)20-8-10-21(11-9-20)26(36)29-12-13-34-14-16-38-17-15-34;2*1-34-25(33)19-14-8-9-15-20(19)28-29-23-22(18-12-6-3-7-13-18)30-31(24(23)32)26-27-21(16-35-26)17-10-4-2-5-11-17;2*1-34-24(33)18-11-5-6-12-19(18)28-29-22-21(17-10-7-13-26-14-17)30-31(23(22)32)25-27-20(15-35-25)16-8-3-2-4-9-16;1-3-4-13-19-21(27-26-18-14-9-8-12-17(18)23(31)32-2)22(30)29(28-19)24-25-20(15-33-24)16-10-6-5-7-11-16;1-3-5-13-19-22(27-26-18-14-9-10-15-21(18)31-4-2)23(30)29(28-19)24-25-20(16-32-24)17-11-7-6-8-12-17;1-13-18(24-23-16-11-7-6-10-15(16)20(28)29-2)19(27)26(25-13)21-22-17(12-30-21)14-8-4-3-5-9-14/h4-11,18,33H,3,12-17H2,1-2H3,(H,29,36);2,4-5,8-11,14-16,18,30H,3,6-7,12-13H2,1H3;2-16,30H,1H3;2*2-15,30H,1H3;5-12,14-15,28H,3-4,13H2,1-2H3;1,6-12,14-16,28H,4-5,13H2,2H3;3-12,25H,1-2H3/b32-31+;4*29-28+;2*27-26+;24-23+.
What are the key properties of 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate)?
5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate) has a molecular weight of 3820.38 g/mol, XLogP of 44.58, 55 rotatable bonds, 9 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-ynyl-4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[2-[4-[(2-ethoxyphenyl)diazenyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylethyl)benzamide;methyl 2-[[5-butyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-cyclohexyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;methyl 2-[[3-oxo-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;bis(methyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-pyridin-3-yl-1H-pyrazol-4-yl]diazenyl]benzoate) is sourced from PubChem (CID 167588562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).