3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide

C111H108F6N24O18 — CID 165091173

About 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide

3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 165091173) has the molecular formula C111H108F6N24O18 and a molecular weight of 2180.22 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide
• PubChem CID: 165091173
• Molecular Formula: C111H108F6N24O18
• Molecular Weight: 2180.22 g/mol
• Exact Mass: 2178.82
• IUPAC Name: 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide
• SMILES: CC(=O)N1CCCC(c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)C1.Cn1cc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cn1.Cn1cc(C(=O)NC(Cc2cccc(C(F)(F)F)c2)C(=O)C(N)=O)c(-c2ccccc2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3c(c2)OCCCO3)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2ncccc2c1
• InChI: InChI=1S/C24H19F2N5O3.C24H24N4O5.C22H18F4N4O3.C22H27N5O4.C19H20N6O3/c25-24(26)31-13-17(20(30-31)16-8-9-18-15(12-16)7-4-10-28-18)23(34)29-19(21(32)22(27)33)11-14-5-2-1-3-6-14;1-28-14-17(21(27-28)16-8-9-19-20(13-16)33-11-5-10-32-19)24(31)26-18(22(29)23(25)30)12-15-6-3-2-4-7-15;1-30-11-15(18(29-30)14-7-2-3-8-16(14)23)21(33)28-17(19(31)20(27)32)10-12-5-4-6-13(9-12)22(24,25)26;1-14(28)27-10-6-9-16(12-27)19-17(13-26(2)25-19)22(31)24-18(20(29)21(23)30)11-15-7-4-3-5-8-15;1-24-10-13(9-21-24)16-14(11-25(2)23-16)19(28)22-15(17(26)18(20)27)8-12-6-4-3-5-7-12/h1-10,12-13,19,24H,11H2,(H2,27,33)(H,29,34);2-4,6-9,13-14,18H,5,10-12H2,1H3,(H2,25,30)(H,26,31);2-9,11,17H,10H2,1H3,(H2,27,32)(H,28,33);3-5,7-8,13,16,18H,6,9-12H2,1-2H3,(H2,23,30)(H,24,31);3-7,9-11,15H,8H2,1-2H3,(H2,20,27)(H,22,28)
• InChIKey: WSRJCAYKYSFCAY-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 604.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 36
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2180.22
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

The IUPAC name of 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide (CID 165091173) is 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

The canonical SMILES for 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide is CC(=O)N1CCCC(c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)C1.Cn1cc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cn1.Cn1cc(C(=O)NC(Cc2cccc(C(F)(F)F)c2)C(=O)C(N)=O)c(-c2ccccc2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccc3c(c2)OCCCO3)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2ncccc2c1.

What is the InChIKey of 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

The InChIKey is WSRJCAYKYSFCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O3.C24H24N4O5.C22H18F4N4O3.C22H27N5O4.C19H20N6O3/c25-24(26)31-13-17(20(30-31)16-8-9-18-15(12-16)7-4-10-28-18)23(34)29-19(21(32)22(27)33)11-14-5-2-1-3-6-14;1-28-14-17(21(27-28)16-8-9-19-20(13-16)33-11-5-10-32-19)24(31)26-18(22(29)23(25)30)12-15-6-3-2-4-7-15;1-30-11-15(18(29-30)14-7-2-3-8-16(14)23)21(33)28-17(19(31)20(27)32)10-12-5-4-6-13(9-12)22(24,25)26;1-14(28)27-10-6-9-16(12-27)19-17(13-26(2)25-19)22(31)24-18(20(29)21(23)30)11-15-7-4-3-5-8-15;1-24-10-13(9-21-24)16-14(11-25(2)23-16)19(28)22-15(17(26)18(20)27)8-12-6-4-3-5-7-12/h1-10,12-13,19,24H,11H2,(H2,27,33)(H,29,34);2-4,6-9,13-14,18H,5,10-12H2,1H3,(H2,25,30)(H,26,31);2-9,11,17H,10H2,1H3,(H2,27,32)(H,28,33);3-5,7-8,13,16,18H,6,9-12H2,1-2H3,(H2,23,30)(H,24,31);3-7,9-11,15H,8H2,1-2H3,(H2,20,27)(H,22,28).

What are the key properties of 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide?

3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 2180.22 g/mol, XLogP of 7.93, 36 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-acetylpiperidin-3-yl)-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide;N-[4-amino-3,4-dioxo-1-[3-(trifluoromethyl)phenyl]butan-2-yl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 165091173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).