N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide

C₁₃₁H₁₂₇F₂N₂₅O₂₂ — CID 162259827

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 162259827) has the molecular formula C₁₃₁H₁₂₇F₂N₂₅O₂₂ and a molecular weight of 2441.61 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide
• PubChem CID: 162259827
• Molecular Formula: C₁₃₁H₁₂₇F₂N₂₅O₂₂
• Molecular Weight: 2441.61 g/mol
• Exact Mass: 2439.96
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide
• SMILES: COc1ccccc1-c1nn(C)cc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.COc1cncc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1c(F)cccc1-c1nn(C)cc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.Cc1ccccc1-c1nn(C)cc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3c2OCO3)n1
• InChI: InChI=1S/2C22H21FN4O3.C22H20N4O5.C22H22N4O4.C22H22N4O3.C21H21N5O4/c1-13-7-6-10-15(18(13)23)19-16(12-27(2)26-19)22(30)25-17(20(28)21(24)29)11-14-8-4-3-5-9-14;1-13-15(9-6-10-17(13)23)19-16(12-27(2)26-19)22(30)25-18(20(28)21(24)29)11-14-7-4-3-5-8-14;1-26-11-15(18(25-26)14-8-5-9-17-20(14)31-12-30-17)22(29)24-16(19(27)21(23)28)10-13-6-3-2-4-7-13;1-26-13-16(19(25-26)15-10-6-7-11-18(15)30-2)22(29)24-17(20(27)21(23)28)12-14-8-4-3-5-9-14;1-14-8-6-7-11-16(14)19-17(13-26(2)25-19)22(29)24-18(20(27)21(23)28)12-15-9-4-3-5-10-15;1-26-12-16(18(25-26)14-9-15(30-2)11-23-10-14)21(29)24-17(19(27)20(22)28)8-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H2,24,29)(H,25,30);3-10,12,18H,11H2,1-2H3,(H2,24,29)(H,25,30);2-9,11,16H,10,12H2,1H3,(H2,23,28)(H,24,29);3-11,13,17H,12H2,1-2H3,(H2,23,28)(H,24,29);3-11,13,18H,12H2,1-2H3,(H2,23,28)(H,24,29);3-7,9-12,17H,8H2,1-2H3,(H2,22,28)(H,24,29)
• InChIKey: ZZBYKVNPKBREJK-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 692.29 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 44
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2441.61
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

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)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide (CID 162259827) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide is COc1ccccc1-c1nn(C)cc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.COc1cncc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1c(F)cccc1-c1nn(C)cc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.Cc1ccccc1-c1nn(C)cc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3c2OCO3)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide?

The InChIKey is ZZBYKVNPKBREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21FN4O3.C22H20N4O5.C22H22N4O4.C22H22N4O3.C21H21N5O4/c1-13-7-6-10-15(18(13)23)19-16(12-27(2)26-19)22(30)25-17(20(28)21(24)29)11-14-8-4-3-5-9-14;1-13-15(9-6-10-17(13)23)19-16(12-27(2)26-19)22(30)25-18(20(28)21(24)29)11-14-7-4-3-5-8-14;1-26-11-15(18(25-26)14-8-5-9-17-20(14)31-12-30-17)22(29)24-16(19(27)21(23)28)10-13-6-3-2-4-7-13;1-26-13-16(19(25-26)15-10-6-7-11-18(15)30-2)22(29)24-17(20(27)21(23)28)12-14-8-4-3-5-9-14;1-14-8-6-7-11-16(14)19-17(13-26(2)25-19)22(29)24-18(20(27)21(23)28)12-15-9-4-3-5-10-15;1-26-12-16(18(25-26)14-9-15(30-2)11-23-10-14)21(29)24-17(19(27)20(22)28)8-13-6-4-3-5-7-13/h3-10,12,17H,11H2,1-2H3,(H2,24,29)(H,25,30);3-10,12,18H,11H2,1-2H3,(H2,24,29)(H,25,30);2-9,11,16H,10,12H2,1H3,(H2,23,28)(H,24,29);3-11,13,17H,12H2,1-2H3,(H2,23,28)(H,24,29);3-11,13,18H,12H2,1-2H3,(H2,23,28)(H,24,29);3-7,9-12,17H,8H2,1-2H3,(H2,22,28)(H,24,29).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 2441.61 g/mol, XLogP of 9.24, 44 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3-fluoro-2-methylphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 162259827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162259827 — identifiers, structure, computed properties (public domain)

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