N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide

C121H108N22O16S3 — CID 158258604

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide (PubChem CID 158258604) has the molecular formula C121H108N22O16S3 and a molecular weight of 2222.53 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide
• PubChem CID: 158258604
• Molecular Formula: C121H108N22O16S3
• Molecular Weight: 2222.53 g/mol
• Exact Mass: 2220.75
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide
• SMILES: Cc1cc(C(=O)NC(C=O)Cc2ccccc2)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc3ccccc3s2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccnn1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1csnc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1csnc1-c1ccccc1
• InChI: InChI=1S/C22H19N5O3S.C20H19N5O3.C20H18N4O3.C20H17N3O3S.C20H19N3O2.C19H16N2O2S/c1-13-11-17(27(26-13)22-25-15-9-5-6-10-18(15)31-22)21(30)24-16(19(28)20(23)29)12-14-7-3-2-4-8-14;1-13-11-16(25(24-13)17-9-5-6-10-22-17)20(28)23-15(18(26)19(21)27)12-14-7-3-2-4-8-14;21-19(26)18(25)16(13-14-7-3-1-4-8-14)23-20(27)17-11-12-22-24(17)15-9-5-2-6-10-15;21-19(25)18(24)16(11-13-7-3-1-4-8-13)22-20(26)15-12-27-23-17(15)14-9-5-2-6-10-14;1-15-12-19(23(22-15)18-10-6-3-7-11-18)20(25)21-17(14-24)13-16-8-4-2-5-9-16;22-12-16(11-14-7-3-1-4-8-14)20-19(23)17-13-24-21-18(17)15-9-5-2-6-10-15/h2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);2-11,15H,12H2,1H3,(H2,21,27)(H,23,28);1-12,16H,13H2,(H2,21,26)(H,23,27);1-10,12,16H,11H2,(H2,21,25)(H,22,26);2-12,14,17H,13H2,1H3,(H,21,25);1-10,12-13,16H,11H2,(H,20,23)
• InChIKey: GHPBVKMMLZMDPU-UHFFFAOYSA-N
• XLogP: 12.70
• TPSA: 572.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 40
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2222.53
LogP ≤ 5	12.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide (CID 158258604) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide is Cc1cc(C(=O)NC(C=O)Cc2ccccc2)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc3ccccc3s2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1ccnn1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1csnc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1csnc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide?

The InChIKey is GHPBVKMMLZMDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S.C20H19N5O3.C20H18N4O3.C20H17N3O3S.C20H19N3O2.C19H16N2O2S/c1-13-11-17(27(26-13)22-25-15-9-5-6-10-18(15)31-22)21(30)24-16(19(28)20(23)29)12-14-7-3-2-4-8-14;1-13-11-16(25(24-13)17-9-5-6-10-22-17)20(28)23-15(18(26)19(21)27)12-14-7-3-2-4-8-14;21-19(26)18(25)16(13-14-7-3-1-4-8-14)23-20(27)17-11-12-22-24(17)15-9-5-2-6-10-15;21-19(25)18(24)16(11-13-7-3-1-4-8-13)22-20(26)15-12-27-23-17(15)14-9-5-2-6-10-14;1-15-12-19(23(22-15)18-10-6-3-7-11-18)20(25)21-17(14-24)13-16-8-4-2-5-9-16;22-12-16(11-14-7-3-1-4-8-14)20-19(23)17-13-24-21-18(17)15-9-5-2-6-10-15/h2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);2-11,15H,12H2,1H3,(H2,21,27)(H,23,28);1-12,16H,13H2,(H2,21,26)(H,23,27);1-10,12,16H,11H2,(H2,21,25)(H,22,26);2-12,14,17H,13H2,1H3,(H,21,25);1-10,12-13,16H,11H2,(H,20,23).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide has a molecular weight of 2222.53 g/mol, XLogP of 12.70, 40 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzothiazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide;5-methyl-N-(1-oxo-3-phenylpropan-2-yl)-2-phenylpyrazole-3-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-3-phenyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 158258604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).