ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide

C83H71N21O8S4 — CID 157267344

About ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide

ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide (PubChem CID 157267344) has the molecular formula C83H71N21O8S4 and a molecular weight of 1618.89 g/mol. Its IUPAC name is ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide.

Molecular Properties

• Compound Name: ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide
• PubChem CID: 157267344
• Molecular Formula: C83H71N21O8S4
• Molecular Weight: 1618.89 g/mol
• Exact Mass: 1617.47
• IUPAC Name: ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1.CCOC(=O)c1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1.COc1ccccc1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.Cc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1
• InChI: InChI=1S/C22H19N5O3S.C21H18N6O2S.C20H17N5O2S.C20H17N5OS/c1-3-30-21(29)16-9-11-17(12-10-16)24-25-19-14(2)26-27(20(19)28)22-23-18(13-31-22)15-7-5-4-6-8-15;1-13-19(25-24-17-10-8-16(9-11-17)22-14(2)28)20(29)27(26-13)21-23-18(12-30-21)15-6-4-3-5-7-15;1-13-18(23-22-15-10-6-7-11-17(15)27-2)19(26)25(24-13)20-21-16(12-28-20)14-8-4-3-5-9-14;1-13-8-10-16(11-9-13)22-23-18-14(2)24-25(19(18)26)20-21-17(12-27-20)15-6-4-3-5-7-15/h4-13,26H,3H2,1-2H3;3-12,26H,1-2H3,(H,22,28);3-12,24H,1-2H3;3-12,24H,1-2H3/b2*25-24+;2*23-22+
• InChIKey: VHPCHCYDDVFXRK-LOJRJYJCSA-N
• XLogP: 20.50
• TPSA: 366.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1618.89
LogP ≤ 5	20.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

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 ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide?

The IUPAC name of ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide (CID 157267344) is ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide.

What is the SMILES notation for ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide?

The canonical SMILES for ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide is CC(=O)Nc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1.CCOC(=O)c1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1.COc1ccccc1/N=N/c1c(C)[nH]n(-c2nc(-c3ccccc3)cs2)c1=O.Cc1ccc(/N=N/c2c(C)[nH]n(-c3nc(-c4ccccc4)cs3)c2=O)cc1.

What is the InChIKey of ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide?

The InChIKey is VHPCHCYDDVFXRK-LOJRJYJCSA-N. The full InChI is InChI=1S/C22H19N5O3S.C21H18N6O2S.C20H17N5O2S.C20H17N5OS/c1-3-30-21(29)16-9-11-17(12-10-16)24-25-19-14(2)26-27(20(19)28)22-23-18(13-31-22)15-7-5-4-6-8-15;1-13-19(25-24-17-10-8-16(9-11-17)22-14(2)28)20(29)27(26-13)21-23-18(12-30-21)15-6-4-3-5-7-15;1-13-18(23-22-15-10-6-7-11-17(15)27-2)19(26)25(24-13)20-21-16(12-28-20)14-8-4-3-5-9-14;1-13-8-10-16(11-9-13)22-23-18-14(2)24-25(19(18)26)20-21-17(12-27-20)15-6-4-3-5-7-15/h4-13,26H,3H2,1-2H3;3-12,26H,1-2H3,(H,22,28);3-12,24H,1-2H3;3-12,24H,1-2H3/b2*25-24+;2*23-22+.

What are the key properties of ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide?

ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide has a molecular weight of 1618.89 g/mol, XLogP of 20.50, 20 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]benzoate;4-[(2-methoxyphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;5-methyl-4-[(4-methylphenyl)diazenyl]-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one;N-[4-[[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide is sourced from PubChem (CID 157267344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).