N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide

C110H102F6N20O20 — CID 158096776

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-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-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 158096776) has the molecular formula C110H102F6N20O20 and a molecular weight of 2138.13 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
• PubChem CID: 158096776
• Molecular Formula: C110H102F6N20O20
• Molecular Weight: 2138.13 g/mol
• Exact Mass: 2136.75
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
• SMILES: COc1ccc(F)c(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.COc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.COc1ccccc1-c1nn(C)cc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(C(F)F)c2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3c2OC(F)(F)O3)n1
• InChI: InChI=1S/C22H18F2N4O5.C22H20F2N4O3.2C22H21FN4O4.C22H22N4O4/c1-28-11-14(17(27-28)13-8-5-9-16-19(13)33-22(23,24)32-16)21(31)26-15(18(29)20(25)30)10-12-6-3-2-4-7-12;1-28-12-16(18(27-28)14-8-5-9-15(11-14)20(23)24)22(31)26-17(19(29)21(25)30)10-13-6-3-2-4-7-13;1-27-12-15(19(26-27)14-9-6-10-17(31-2)18(14)23)22(30)25-16(20(28)21(24)29)11-13-7-4-3-5-8-13;1-27-12-16(19(26-27)15-11-14(31-2)8-9-17(15)23)22(30)25-18(20(28)21(24)29)10-13-6-4-3-5-7-13;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/h2-9,11,15H,10H2,1H3,(H2,25,30)(H,26,31);2-9,11-12,17,20H,10H2,1H3,(H2,25,30)(H,26,31);3-10,12,16H,11H2,1-2H3,(H2,24,29)(H,25,30);3-9,11-12,18H,10H2,1-2H3,(H2,24,29)(H,25,30);3-11,13,17H,12H2,1-2H3,(H2,23,28)(H,24,29)
• InChIKey: FOTMJOLVUWCVFI-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 581.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 39
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2138.13
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

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-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide (CID 158096776) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide is COc1ccc(F)c(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.COc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.COc1ccccc1-c1nn(C)cc1C(=O)NC(Cc1ccccc1)C(=O)C(N)=O.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc(C(F)F)c2)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3c2OC(F)(F)O3)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide?

The InChIKey is FOTMJOLVUWCVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O5.C22H20F2N4O3.2C22H21FN4O4.C22H22N4O4/c1-28-11-14(17(27-28)13-8-5-9-16-19(13)33-22(23,24)32-16)21(31)26-15(18(29)20(25)30)10-12-6-3-2-4-7-12;1-28-12-16(18(27-28)14-8-5-9-15(11-14)20(23)24)22(31)26-17(19(29)21(25)30)10-13-6-3-2-4-7-13;1-27-12-15(19(26-27)14-9-6-10-17(31-2)18(14)23)22(30)25-16(20(28)21(24)29)11-13-7-4-3-5-8-13;1-27-12-16(19(26-27)15-11-14(31-2)8-9-17(15)23)22(30)25-18(20(28)21(24)29)10-13-6-4-3-5-7-13;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/h2-9,11,15H,10H2,1H3,(H2,25,30)(H,26,31);2-9,11-12,17,20H,10H2,1H3,(H2,25,30)(H,26,31);3-10,12,16H,11H2,1-2H3,(H2,24,29)(H,25,30);3-9,11-12,18H,10H2,1-2H3,(H2,24,29)(H,25,30);3-11,13,17H,12H2,1-2H3,(H2,23,28)(H,24,29).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-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-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 2138.13 g/mol, XLogP of 8.98, 39 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,2-difluoro-1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-[3-(difluoromethyl)phenyl]-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-methoxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 158096776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).