N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide

C112H108N26O16 — CID 157407811

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide (PubChem CID 157407811) has the molecular formula C112H108N26O16 and a molecular weight of 2074.26 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide
• PubChem CID: 157407811
• Molecular Formula: C112H108N26O16
• Molecular Weight: 2074.26 g/mol
• Exact Mass: 2072.84
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide
• SMILES: CCn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1.Cc1cc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc(C)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccccc3)nn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc3ccccc3o2)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1
• InChI: InChI=1S/C25H22N6O3.C22H19N5O4.C22H23N5O3.C22H22N4O3.C21H22N6O3/c1-16-14-21(25(34)27-20(23(32)24(26)33)15-17-8-4-2-5-9-17)31(30-16)22-13-12-19(28-29-22)18-10-6-3-7-11-18;1-13-11-17(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;1-13-9-14(2)24-19(10-13)27-18(11-15(3)26-27)22(30)25-17(20(28)21(23)29)12-16-7-5-4-6-8-16;1-2-26-14-17(19(25-26)16-11-7-4-8-12-16)22(29)24-18(20(27)21(23)28)13-15-9-5-3-6-10-15;1-12-10-18(24-14(3)23-12)27-17(9-13(2)26-27)21(30)25-16(19(28)20(22)29)11-15-7-5-4-6-8-15/h2-14,20H,15H2,1H3,(H2,26,33)(H,27,34);2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);4-11,17H,12H2,1-3H3,(H2,23,29)(H,25,30);3-12,14,18H,2,13H2,1H3,(H2,23,28)(H,24,29);4-10,16H,11H2,1-3H3,(H2,22,29)(H,25,30)
• InChIKey: BNXVOFBRHAXKNF-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 625.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 37
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2074.26
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'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-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide (CID 157407811) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide is CCn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2)n1.Cc1cc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nc(C)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccccc3)nn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2nc3ccccc3o2)n1.Cc1cc(C)nc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide?

The InChIKey is BNXVOFBRHAXKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3.C22H19N5O4.C22H23N5O3.C22H22N4O3.C21H22N6O3/c1-16-14-21(25(34)27-20(23(32)24(26)33)15-17-8-4-2-5-9-17)31(30-16)22-13-12-19(28-29-22)18-10-6-3-7-11-18;1-13-11-17(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;1-13-9-14(2)24-19(10-13)27-18(11-15(3)26-27)22(30)25-17(20(28)21(23)29)12-16-7-5-4-6-8-16;1-2-26-14-17(19(25-26)16-11-7-4-8-12-16)22(29)24-18(20(27)21(23)28)13-15-9-5-3-6-10-15;1-12-10-18(24-14(3)23-12)27-17(9-13(2)26-27)21(30)25-16(19(28)20(22)29)11-15-7-5-4-6-8-15/h2-14,20H,15H2,1H3,(H2,26,33)(H,27,34);2-11,16H,12H2,1H3,(H2,23,29)(H,24,30);4-11,17H,12H2,1-3H3,(H2,23,29)(H,25,30);3-12,14,18H,2,13H2,1H3,(H2,23,28)(H,24,29);4-10,16H,11H2,1-3H3,(H2,22,29)(H,25,30).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(1,3-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide has a molecular weight of 2074.26 g/mol, XLogP of 8.29, 37 rotatable bonds, 10 hydrogen bond donors, and 32 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-benzoxazol-2-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(4,6-dimethyl-2-pyridinyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-ethyl-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 157407811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).