4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid

C139H119N33O13S9 — CID 161079725

About 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid

4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid (PubChem CID 161079725) has the molecular formula C139H119N33O13S9 and a molecular weight of 2748.30 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid.

Molecular Properties

• Compound Name: 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid
• PubChem CID: 161079725
• Molecular Formula: C139H119N33O13S9
• Molecular Weight: 2748.30 g/mol
• Exact Mass: 2745.72
• IUPAC Name: 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid
• SMILES: CCOc1ccccc1/N=N/c1c(-c2cccs2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.CCOc1ccccc1/N=N/c1c(CC)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.Cc1[nH]n(-c2nc(-c3ccccc3)c(C)s2)c(=O)c1/N=N/c1ccccc1N1CCN(C)CC1.Cc1[nH]n(-c2nc(-c3ccccc3)c(C)s2)c(=O)c1/N=N/c1ccccc1OC(C)C.O=C(O)c1ccccc1/N=N/c1c(-c2cccs2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.O=C(O)c1ccccc1/N=N/c1c(-c2nccs2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O
• InChI: InChI=1S/C25H27N7OS.C24H19N5O2S2.C23H15N5O3S2.C23H23N5O2S.C22H14N6O3S2.C22H21N5O2S/c1-17-22(28-27-20-11-7-8-12-21(20)31-15-13-30(3)14-16-31)24(33)32(29-17)25-26-23(18(2)34-25)19-9-5-4-6-10-19;1-2-31-19-12-7-6-11-17(19)26-27-22-21(20-13-8-14-32-20)28-29(23(22)30)24-25-18(15-33-24)16-9-4-3-5-10-16;29-21-20(26-25-16-10-5-4-9-15(16)22(30)31)19(18-11-6-12-32-18)27-28(21)23-24-17(13-33-23)14-7-2-1-3-8-14;1-14(2)30-19-13-9-8-12-18(19)25-26-20-15(3)27-28(22(20)29)23-24-21(16(4)31-23)17-10-6-5-7-11-17;29-20-18(26-25-15-9-5-4-8-14(15)21(30)31)17(19-23-10-11-32-19)27-28(20)22-24-16(12-33-22)13-6-2-1-3-7-13;1-3-16-20(25-24-17-12-8-9-13-19(17)29-4-2)21(28)27(26-16)22-23-18(14-30-22)15-10-6-5-7-11-15/h4-12,29H,13-16H2,1-3H3;3-15,28H,2H2,1H3;1-13,27H,(H,30,31);5-14,27H,1-4H3;1-12,27H,(H,30,31);5-14,26H,3-4H2,1-2H3/b28-27+;27-26+;3*26-25+;25-24+
• InChIKey: CZGNDMQUKAPXOB-QGLKLHJUSA-N
• XLogP: 35.34
• TPSA: 574.06 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 47
• Rotatable Bonds: 37
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2748.30
LogP ≤ 5	35.34
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid?

The IUPAC name of 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid (CID 161079725) is 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid.

What is the SMILES notation for 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid?

The canonical SMILES for 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid is CCOc1ccccc1/N=N/c1c(-c2cccs2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.CCOc1ccccc1/N=N/c1c(CC)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.Cc1[nH]n(-c2nc(-c3ccccc3)c(C)s2)c(=O)c1/N=N/c1ccccc1N1CCN(C)CC1.Cc1[nH]n(-c2nc(-c3ccccc3)c(C)s2)c(=O)c1/N=N/c1ccccc1OC(C)C.O=C(O)c1ccccc1/N=N/c1c(-c2cccs2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.O=C(O)c1ccccc1/N=N/c1c(-c2nccs2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.

What is the InChIKey of 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid?

The InChIKey is CZGNDMQUKAPXOB-QGLKLHJUSA-N. The full InChI is InChI=1S/C25H27N7OS.C24H19N5O2S2.C23H15N5O3S2.C23H23N5O2S.C22H14N6O3S2.C22H21N5O2S/c1-17-22(28-27-20-11-7-8-12-21(20)31-15-13-30(3)14-16-31)24(33)32(29-17)25-26-23(18(2)34-25)19-9-5-4-6-10-19;1-2-31-19-12-7-6-11-17(19)26-27-22-21(20-13-8-14-32-20)28-29(23(22)30)24-25-18(15-33-24)16-9-4-3-5-10-16;29-21-20(26-25-16-10-5-4-9-15(16)22(30)31)19(18-11-6-12-32-18)27-28(21)23-24-17(13-33-23)14-7-2-1-3-8-14;1-14(2)30-19-13-9-8-12-18(19)25-26-20-15(3)27-28(22(20)29)23-24-21(16(4)31-23)17-10-6-5-7-11-17;29-20-18(26-25-15-9-5-4-8-14(15)21(30)31)17(19-23-10-11-32-19)27-28(20)22-24-16(12-33-22)13-6-2-1-3-7-13;1-3-16-20(25-24-17-12-8-9-13-19(17)29-4-2)21(28)27(26-16)22-23-18(14-30-22)15-10-6-5-7-11-15/h4-12,29H,13-16H2,1-3H3;3-15,28H,2H2,1H3;1-13,27H,(H,30,31);5-14,27H,1-4H3;1-12,27H,(H,30,31);5-14,26H,3-4H2,1-2H3/b28-27+;27-26+;3*26-25+;25-24+.

What are the key properties of 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid?

4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid has a molecular weight of 2748.30 g/mol, XLogP of 35.34, 37 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-ethoxyphenyl)diazenyl]-5-ethyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-ethoxyphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[2-(4-methylpiperazin-1-yl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoic acid;2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoic acid is sourced from PubChem (CID 161079725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).