4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one

C113H101N25O9S5 — CID 159193091

About 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one

4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one (PubChem CID 159193091) has the molecular formula C113H101N25O9S5 and a molecular weight of 2113.55 g/mol. Its IUPAC name is 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one
• PubChem CID: 159193091
• Molecular Formula: C113H101N25O9S5
• Molecular Weight: 2113.55 g/mol
• Exact Mass: 2111.68
• IUPAC Name: 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one
• SMILES: CC(=O)Cc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)c(C)s3)c2=O)cc1.CCOc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)c(C)s3)c2=O)cc1.COc1ccccc1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)c(C)s2)c1=O.Cc1[nH]n(-c2nc(-c3ccccc3)c(C)s2)c(=O)c1/N=N/c1ccccc1Oc1ccccc1.Cc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)c(C)s3)c2=O)cc1
• InChI: InChI=1S/C26H21N5O2S.C23H21N5O2S.C22H21N5O2S.C21H19N5O2S.C21H19N5OS/c1-17-23(29-28-21-15-9-10-16-22(21)33-20-13-7-4-8-14-20)25(32)31(30-17)26-27-24(18(2)34-26)19-11-5-3-6-12-19;1-14(29)13-17-9-11-19(12-10-17)25-26-20-15(2)27-28(22(20)30)23-24-21(16(3)31-23)18-7-5-4-6-8-18;1-4-29-18-12-10-17(11-13-18)24-25-19-14(2)26-27(21(19)28)22-23-20(15(3)30-22)16-8-6-5-7-9-16;1-13-18(24-23-16-11-7-8-12-17(16)28-3)20(27)26(25-13)21-22-19(14(2)29-21)15-9-5-4-6-10-15;1-13-9-11-17(12-10-13)23-24-18-14(2)25-26(20(18)27)21-22-19(15(3)28-21)16-7-5-4-6-8-16/h3-16,30H,1-2H3;4-12,27H,13H2,1-3H3;5-13,26H,4H2,1-3H3;4-12,25H,1-3H3;4-12,25H,1-3H3/b29-28+;26-25+;25-24+;2*24-23+
• InChIKey: OHOLTLRAROHOJX-GALNUXBASA-N
• XLogP: 29.25
• TPSA: 421.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2113.55
LogP ≤ 5	29.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

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-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one?

The IUPAC name of 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one (CID 159193091) is 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one.

What is the SMILES notation for 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one?

The canonical SMILES for 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one is CC(=O)Cc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)c(C)s3)c2=O)cc1.CCOc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)c(C)s3)c2=O)cc1.COc1ccccc1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)c(C)s2)c1=O.Cc1[nH]n(-c2nc(-c3ccccc3)c(C)s2)c(=O)c1/N=N/c1ccccc1Oc1ccccc1.Cc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)c(C)s3)c2=O)cc1.

What is the InChIKey of 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one?

The InChIKey is OHOLTLRAROHOJX-GALNUXBASA-N. The full InChI is InChI=1S/C26H21N5O2S.C23H21N5O2S.C22H21N5O2S.C21H19N5O2S.C21H19N5OS/c1-17-23(29-28-21-15-9-10-16-22(21)33-20-13-7-4-8-14-20)25(32)31(30-17)26-27-24(18(2)34-26)19-11-5-3-6-12-19;1-14(29)13-17-9-11-19(12-10-17)25-26-20-15(2)27-28(22(20)30)23-24-21(16(3)31-23)18-7-5-4-6-8-18;1-4-29-18-12-10-17(11-13-18)24-25-19-14(2)26-27(21(19)28)22-23-20(15(3)30-22)16-8-6-5-7-9-16;1-13-18(24-23-16-11-7-8-12-17(16)28-3)20(27)26(25-13)21-22-19(14(2)29-21)15-9-5-4-6-10-15;1-13-9-11-17(12-10-13)23-24-18-14(2)25-26(20(18)27)21-22-19(15(3)28-21)16-7-5-4-6-8-16/h3-16,30H,1-2H3;4-12,27H,13H2,1-3H3;5-13,26H,4H2,1-3H3;4-12,25H,1-3H3;4-12,25H,1-3H3/b29-28+;26-25+;25-24+;2*24-23+.

What are the key properties of 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one?

4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one has a molecular weight of 2113.55 g/mol, XLogP of 29.25, 27 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-ethoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[[4-(2-oxopropyl)phenyl]diazenyl]-1H-pyrazol-3-one;5-methyl-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-4-[(2-phenoxyphenyl)diazenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 159193091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).