N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide

C103H90F6N18O15S — CID 164967930

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 164967930) has the molecular formula C103H90F6N18O15S and a molecular weight of 1966.02 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 164967930
• Molecular Formula: C103H90F6N18O15S
• Molecular Weight: 1966.02 g/mol
• Exact Mass: 1964.65
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide
• SMILES: COc1cccc(-c2nn(C(F)F)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C(=O)c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1
• InChI: InChI=1S/C22H20F2N4O4.C22H20N4O4.C21H18F2N4O3.C20H17F2N3O2.C18H15N3O2S/c1-32-15-9-5-8-14(11-15)18-16(12-28(27-18)22(23)24)21(31)26-17(19(29)20(25)30)10-13-6-3-2-4-7-13;1-26-13-16(18(25-26)19(27)15-10-6-3-7-11-15)22(30)24-17(20(28)21(23)29)12-14-8-4-2-5-9-14;22-21(23)27-12-15(17(26-27)14-9-5-2-6-10-14)20(30)25-16(18(28)19(24)29)11-13-7-3-1-4-8-13;21-20(22)25-12-17(18(24-25)15-9-5-2-6-10-15)19(27)23-16(13-26)11-14-7-3-1-4-8-14;22-12-15(11-13-7-3-1-4-8-13)19-18(23)17-16(20-24-21-17)14-9-5-2-6-10-14/h2-9,11-12,17,22H,10H2,1H3,(H2,25,30)(H,26,31);2-11,13,17H,12H2,1H3,(H2,23,29)(H,24,30);1-10,12,16,21H,11H2,(H2,24,29)(H,25,30);1-10,12-13,16,20H,11H2,(H,23,27);1-10,12,15H,11H2,(H,19,23)
• InChIKey: CSMFCYDSYFETNJ-UHFFFAOYSA-N
• XLogP: 11.97
• TPSA: 483.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 38
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1966.02
LogP ≤ 5	11.97
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

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)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide (CID 164967930) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide is COc1cccc(-c2nn(C(F)F)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C(=O)c2ccccc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccccc1.O=CC(Cc1ccccc1)NC(=O)c1nsnc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is CSMFCYDSYFETNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O4.C22H20N4O4.C21H18F2N4O3.C20H17F2N3O2.C18H15N3O2S/c1-32-15-9-5-8-14(11-15)18-16(12-28(27-18)22(23)24)21(31)26-17(19(29)20(25)30)10-13-6-3-2-4-7-13;1-26-13-16(18(25-26)19(27)15-10-6-3-7-11-15)22(30)24-17(20(28)21(23)29)12-14-8-4-2-5-9-14;22-21(23)27-12-15(17(26-27)14-9-5-2-6-10-14)20(30)25-16(18(28)19(24)29)11-13-7-3-1-4-8-13;21-20(22)25-12-17(18(24-25)15-9-5-2-6-10-15)19(27)23-16(13-26)11-14-7-3-1-4-8-14;22-12-15(11-13-7-3-1-4-8-13)19-18(23)17-16(20-24-21-17)14-9-5-2-6-10-14/h2-9,11-12,17,22H,10H2,1H3,(H2,25,30)(H,26,31);2-11,13,17H,12H2,1H3,(H2,23,29)(H,24,30);1-10,12,16,21H,11H2,(H2,24,29)(H,25,30);1-10,12-13,16,20H,11H2,(H,23,27);1-10,12,15H,11H2,(H,19,23).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 1966.02 g/mol, XLogP of 11.97, 38 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzoyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-methoxyphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-phenylpyrazole-4-carboxamide;1-(difluoromethyl)-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;N-(1-oxo-3-phenylpropan-2-yl)-4-phenyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 164967930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).