N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide

C81H76F3N19O11 — CID 165018879

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide (PubChem CID 165018879) has the molecular formula C81H76F3N19O11 and a molecular weight of 1548.61 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide
• PubChem CID: 165018879
• Molecular Formula: C81H76F3N19O11
• Molecular Weight: 1548.61 g/mol
• Exact Mass: 1547.59
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide
• SMILES: Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cn1cc(C(=O)NC(C=O)Cc2ccccc2)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(C(F)(F)F)nc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cnccn2)n1
• InChI: InChI=1S/C21H18F3N5O3.C21H21N5O3.C20H19N3O2.C19H18N6O3/c1-29-11-14(17(28-29)13-7-8-16(26-10-13)21(22,23)24)20(32)27-15(18(30)19(25)31)9-12-5-3-2-4-6-12;1-13-7-6-10-16(23-13)18-15(12-26(2)25-18)21(29)24-17(19(27)20(22)28)11-14-8-4-3-5-9-14;1-23-13-18(19(22-23)16-10-6-3-7-11-16)20(25)21-17(14-24)12-15-8-4-2-5-9-15;1-25-11-13(16(24-25)15-10-21-7-8-22-15)19(28)23-14(17(26)18(20)27)9-12-5-3-2-4-6-12/h2-8,10-11,15H,9H2,1H3,(H2,25,31)(H,27,32);3-10,12,17H,11H2,1-2H3,(H2,22,28)(H,24,29);2-11,13-14,17H,12H2,1H3,(H,21,25);2-8,10-11,14H,9H2,1H3,(H2,20,27)(H,23,28)
• InChIKey: KVUADMZZELAXMO-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 436.79 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1548.61
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

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)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide (CID 165018879) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide is Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cn1cc(C(=O)NC(C=O)Cc2ccccc2)c(-c2ccccc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc(C(F)(F)F)nc2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cnccn2)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide?

The InChIKey is KVUADMZZELAXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O3.C21H21N5O3.C20H19N3O2.C19H18N6O3/c1-29-11-14(17(28-29)13-7-8-16(26-10-13)21(22,23)24)20(32)27-15(18(30)19(25)31)9-12-5-3-2-4-6-12;1-13-7-6-10-16(23-13)18-15(12-26(2)25-18)21(29)24-17(19(27)20(22)28)11-14-8-4-3-5-9-14;1-23-13-18(19(22-23)16-10-6-3-7-11-16)20(25)21-17(14-24)12-15-8-4-2-5-9-15;1-25-11-13(16(24-25)15-10-21-7-8-22-15)19(28)23-14(17(26)18(20)27)9-12-5-3-2-4-6-12/h2-8,10-11,15H,9H2,1H3,(H2,25,31)(H,27,32);3-10,12,17H,11H2,1-2H3,(H2,22,28)(H,24,29);2-11,13-14,17H,12H2,1H3,(H,21,25);2-8,10-11,14H,9H2,1H3,(H2,20,27)(H,23,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 1548.61 g/mol, XLogP of 5.98, 27 rotatable bonds, 7 hydrogen bond donors, and 23 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-(6-methyl-2-pyridinyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-pyrazin-2-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-4-carboxamide;1-methyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 165018879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).