N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide

C125H120FN27O18 — CID 158797222

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide (PubChem CID 158797222) has the molecular formula C125H120FN27O18 and a molecular weight of 2307.50 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide
• PubChem CID: 158797222
• Molecular Formula: C125H120FN27O18
• Molecular Weight: 2307.50 g/mol
• Exact Mass: 2305.93
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide
• SMILES: Cc1ccc(-c2c(C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cnn2C)cc1.Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.Cn1cc(C(=O)NC(Cc2ccc(F)cc2)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccn2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccncc2)n1.Cn1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccncc1
• InChI: InChI=1S/2C22H22N4O3.C21H19FN4O3.3C20H19N5O3/c1-14-8-10-16(11-9-14)19-17(13-26(2)25-19)22(29)24-18(20(27)21(23)28)12-15-6-4-3-5-7-15;1-14-8-10-16(11-9-14)19-17(13-24-26(19)2)22(29)25-18(20(27)21(23)28)12-15-6-4-3-5-7-15;1-26-12-16(18(25-26)14-5-3-2-4-6-14)21(29)24-17(19(27)20(23)28)11-13-7-9-15(22)10-8-13;1-25-12-14(17(24-25)15-9-5-6-10-22-15)20(28)23-16(18(26)19(21)27)11-13-7-3-2-4-8-13;1-25-12-15(17(24-25)14-7-9-22-10-8-14)20(28)23-16(18(26)19(21)27)11-13-5-3-2-4-6-13;1-25-17(14-7-9-22-10-8-14)15(12-23-25)20(28)24-16(18(26)19(21)27)11-13-5-3-2-4-6-13/h3-11,13,18H,12H2,1-2H3,(H2,23,28)(H,24,29);3-11,13,18H,12H2,1-2H3,(H2,23,28)(H,25,29);2-10,12,17H,11H2,1H3,(H2,23,28)(H,24,29);2*2-10,12,16H,11H2,1H3,(H2,21,27)(H,23,28);2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28)
• InChIKey: ISZZAFREIAWRBK-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 681.15 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 42
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2307.50
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

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)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide (CID 158797222) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide is Cc1ccc(-c2c(C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cnn2C)cc1.Cc1ccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.Cn1cc(C(=O)NC(Cc2ccc(F)cc2)C(=O)C(N)=O)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccn2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccncc2)n1.Cn1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccncc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide?

The InChIKey is ISZZAFREIAWRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N4O3.C21H19FN4O3.3C20H19N5O3/c1-14-8-10-16(11-9-14)19-17(13-26(2)25-19)22(29)24-18(20(27)21(23)28)12-15-6-4-3-5-7-15;1-14-8-10-16(11-9-14)19-17(13-24-26(19)2)22(29)25-18(20(27)21(23)28)12-15-6-4-3-5-7-15;1-26-12-16(18(25-26)14-5-3-2-4-6-14)21(29)24-17(19(27)20(23)28)11-13-7-9-15(22)10-8-13;1-25-12-14(17(24-25)15-9-5-6-10-22-15)20(28)23-16(18(26)19(21)27)11-13-7-3-2-4-8-13;1-25-12-15(17(24-25)14-7-9-22-10-8-14)20(28)23-16(18(26)19(21)27)11-13-5-3-2-4-6-13;1-25-17(14-7-9-22-10-8-14)15(12-23-25)20(28)24-16(18(26)19(21)27)11-13-5-3-2-4-6-13/h3-11,13,18H,12H2,1-2H3,(H2,23,28)(H,24,29);3-11,13,18H,12H2,1-2H3,(H2,23,28)(H,25,29);2-10,12,17H,11H2,1H3,(H2,23,28)(H,24,29);2*2-10,12,16H,11H2,1H3,(H2,21,27)(H,23,28);2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide has a molecular weight of 2307.50 g/mol, XLogP of 7.84, 42 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-(4-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyridin-4-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide;N-[4-amino-1-(4-fluorophenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 158797222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).