4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate

C116H100N26O13S7 — CID 160829159

About 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate

4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate (PubChem CID 160829159) has the molecular formula C116H100N26O13S7 and a molecular weight of 2290.71 g/mol. Its IUPAC name is 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate.

Molecular Properties

• Compound Name: 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate
• PubChem CID: 160829159
• Molecular Formula: C116H100N26O13S7
• Molecular Weight: 2290.71 g/mol
• Exact Mass: 2288.60
• IUPAC Name: 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate
• SMILES: CCOC(=O)c1ccccc1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.CCOc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4nccs4)cs3)c2=O)cc1.COc1ccc(-c2csc(-n3[nH]c(C)c(/N=N/c4ccccc4OC(C)C)c3=O)n2)cc1.Cc1cccc(C)c1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)c(C)s2)c1=O.O=C(COC(=O)c1ccccc1/N=N/c1c(-c2cccs2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccccc1
• InChI: InChI=1S/C31H21N5O4S2.C23H23N5O3S.C22H19N5O3S.C22H21N5OS.C18H16N6O2S2/c37-25(21-12-5-2-6-13-21)18-40-30(39)22-14-7-8-15-23(22)33-34-28-27(26-16-9-17-41-26)35-36(29(28)38)31-32-24(19-42-31)20-10-3-1-4-11-20;1-14(2)31-20-8-6-5-7-18(20)25-26-21-15(3)27-28(22(21)29)23-24-19(13-32-23)16-9-11-17(30-4)12-10-16;1-3-30-21(29)16-11-7-8-12-17(16)24-25-19-14(2)26-27(20(19)28)22-23-18(13-31-22)15-9-5-4-6-10-15;1-13-9-8-10-14(2)18(13)24-25-19-15(3)26-27(21(19)28)22-23-20(16(4)29-22)17-11-6-5-7-12-17;1-3-26-13-6-4-12(5-7-13)21-22-15-11(2)23-24(17(15)25)18-20-14(10-28-18)16-19-8-9-27-16/h1-17,19,35H,18H2;5-14,27H,1-4H3;4-13,26H,3H2,1-2H3;5-12,26H,1-4H3;4-10,23H,3H2,1-2H3/b34-33+;26-25+;2*25-24+;22-21+
• InChIKey: KIYXFPYXLISSFW-DJTCJDTFSA-N
• XLogP: 29.28
• TPSA: 487.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 32
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2290.71
LogP ≤ 5	29.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

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-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate?

The IUPAC name of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate (CID 160829159) is 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate.

What is the SMILES notation for 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate?

The canonical SMILES for 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate is CCOC(=O)c1ccccc1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.CCOc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4nccs4)cs3)c2=O)cc1.COc1ccc(-c2csc(-n3[nH]c(C)c(/N=N/c4ccccc4OC(C)C)c3=O)n2)cc1.Cc1cccc(C)c1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)c(C)s2)c1=O.O=C(COC(=O)c1ccccc1/N=N/c1c(-c2cccs2)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O)c1ccccc1.

What is the InChIKey of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate?

The InChIKey is KIYXFPYXLISSFW-DJTCJDTFSA-N. The full InChI is InChI=1S/C31H21N5O4S2.C23H23N5O3S.C22H19N5O3S.C22H21N5OS.C18H16N6O2S2/c37-25(21-12-5-2-6-13-21)18-40-30(39)22-14-7-8-15-23(22)33-34-28-27(26-16-9-17-41-26)35-36(29(28)38)31-32-24(19-42-31)20-10-3-1-4-11-20;1-14(2)31-20-8-6-5-7-18(20)25-26-21-15(3)27-28(22(21)29)23-24-19(13-32-23)16-9-11-17(30-4)12-10-16;1-3-30-21(29)16-11-7-8-12-17(16)24-25-19-14(2)26-27(20(19)28)22-23-18(13-31-22)15-9-5-4-6-10-15;1-13-9-8-10-14(2)18(13)24-25-19-15(3)26-27(21(19)28)22-23-20(16(4)29-22)17-11-6-5-7-12-17;1-3-26-13-6-4-12(5-7-13)21-22-15-11(2)23-24(17(15)25)18-20-14(10-28-18)16-19-8-9-27-16/h1-17,19,35H,18H2;5-14,27H,1-4H3;4-13,26H,3H2,1-2H3;5-12,26H,1-4H3;4-10,23H,3H2,1-2H3/b34-33+;26-25+;2*25-24+;22-21+.

What are the key properties of 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate?

4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate has a molecular weight of 2290.71 g/mol, XLogP of 29.28, 32 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,6-dimethylphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-[4-(1,3-thiazol-2-yl)-1,3-thiazol-2-yl]-1H-pyrazol-3-one;ethyl 2-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-[(2-propan-2-yloxyphenyl)diazenyl]-1H-pyrazol-3-one;phenacyl 2-[[3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1H-pyrazol-4-yl]diazenyl]benzoate is sourced from PubChem (CID 160829159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).