N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide

C136H126F2N26O22 — CID 160737541

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide (PubChem CID 160737541) has the molecular formula C136H126F2N26O22 and a molecular weight of 2514.66 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide
• PubChem CID: 160737541
• Molecular Formula: C136H126F2N26O22
• Molecular Weight: 2514.66 g/mol
• Exact Mass: 2512.95
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide
• SMILES: Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3c(c2)OCO3)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3ccccc3c2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3c2OCCO3)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3ccccc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2C(F)F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccnn2C)n1
• InChI: InChI=1S/2C25H22N4O3.C23H22N4O5.C22H20F2N4O3.C22H20N4O5.C19H20N6O3/c1-29-15-20(22(28-29)19-13-7-11-17-10-5-6-12-18(17)19)25(32)27-21(23(30)24(26)31)14-16-8-3-2-4-9-16;1-29-15-20(22(28-29)19-12-11-17-9-5-6-10-18(17)14-19)25(32)27-21(23(30)24(26)31)13-16-7-3-2-4-8-16;1-27-13-16(19(26-27)15-8-5-9-18-21(15)32-11-10-31-18)23(30)25-17(20(28)22(24)29)12-14-6-3-2-4-7-14;1-28-12-16(18(27-28)14-9-5-6-10-15(14)20(23)24)22(31)26-17(19(29)21(25)30)11-13-7-3-2-4-8-13;1-26-11-15(19(25-26)14-7-8-17-18(10-14)31-12-30-17)22(29)24-16(20(27)21(23)28)9-13-5-3-2-4-6-13;1-24-11-13(16(23-24)15-8-9-21-25(15)2)19(28)22-14(17(26)18(20)27)10-12-6-4-3-5-7-12/h2-13,15,21H,14H2,1H3,(H2,26,31)(H,27,32);2-12,14-15,21H,13H2,1H3,(H2,26,31)(H,27,32);2-9,13,17H,10-12H2,1H3,(H2,24,29)(H,25,30);2-10,12,17,20H,11H2,1H3,(H2,25,30)(H,26,31);2-8,10-11,16H,9,12H2,1H3,(H2,23,28)(H,24,29);3-9,11,14H,10H2,1-2H3,(H2,20,27)(H,22,28)
• InChIKey: RVDSHJFFUBMPTG-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 697.22 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 43
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2514.66
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

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-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide (CID 160737541) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide is Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3c(c2)OCO3)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3ccccc3c2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3c2OCCO3)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3ccccc23)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccccc2C(F)F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccnn2C)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide?

The InChIKey is RVDSHJFFUBMPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22N4O3.C23H22N4O5.C22H20F2N4O3.C22H20N4O5.C19H20N6O3/c1-29-15-20(22(28-29)19-13-7-11-17-10-5-6-12-18(17)19)25(32)27-21(23(30)24(26)31)14-16-8-3-2-4-9-16;1-29-15-20(22(28-29)19-12-11-17-9-5-6-10-18(17)14-19)25(32)27-21(23(30)24(26)31)13-16-7-3-2-4-8-16;1-27-13-16(19(26-27)15-8-5-9-18-21(15)32-11-10-31-18)23(30)25-17(20(28)22(24)29)12-14-6-3-2-4-7-14;1-28-12-16(18(27-28)14-9-5-6-10-15(14)20(23)24)22(31)26-17(19(29)21(25)30)11-13-7-3-2-4-8-13;1-26-11-15(19(25-26)14-7-8-17-18(10-14)31-12-30-17)22(29)24-16(20(27)21(23)28)9-13-5-3-2-4-6-13;1-24-11-13(16(23-24)15-8-9-21-25(15)2)19(28)22-14(17(26)18(20)27)10-12-6-4-3-5-7-12/h2-13,15,21H,14H2,1H3,(H2,26,31)(H,27,32);2-12,14-15,21H,13H2,1H3,(H2,26,31)(H,27,32);2-9,13,17H,10-12H2,1H3,(H2,24,29)(H,25,30);2-10,12,17,20H,11H2,1H3,(H2,25,30)(H,26,31);2-8,10-11,16H,9,12H2,1H3,(H2,23,28)(H,24,29);3-9,11,14H,10H2,1-2H3,(H2,20,27)(H,22,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide has a molecular weight of 2514.66 g/mol, XLogP of 10.37, 43 rotatable bonds, 12 hydrogen bond donors, and 36 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-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[2-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-1-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 160737541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).