N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide

C116H101Cl5F6N24O24S — CID 158358927

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 158358927) has the molecular formula C116H101Cl5F6N24O24S and a molecular weight of 2538.55 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide
• PubChem CID: 158358927
• Molecular Formula: C116H101Cl5F6N24O24S
• Molecular Weight: 2538.55 g/mol
• Exact Mass: 2534.55
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide
• SMILES: Cc1cc(-c2nn(C(F)F)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C)o1.Cc1cc(-c2nsnc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cc(Cl)oc2Cl)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccoc2Cl)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccoc1Cl.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1coc(Cl)c1
• InChI: InChI=1S/C21H20F2N4O4.C19H16Cl2N4O4.2C19H15ClF2N4O4.C19H17ClN4O4.C19H18N4O4S/c1-11-8-14(12(2)31-11)17-15(10-27(26-17)21(22)23)20(30)25-16(18(28)19(24)29)9-13-6-4-3-5-7-13;1-25-9-12(15(24-25)11-8-14(20)29-17(11)21)19(28)23-13(16(26)18(22)27)7-10-5-3-2-4-6-10;20-14-7-11(9-30-14)15-12(8-26(25-15)19(21)22)18(29)24-13(16(27)17(23)28)6-10-4-2-1-3-5-10;20-16-11(6-7-30-16)14-12(9-26(25-14)19(21)22)18(29)24-13(15(27)17(23)28)8-10-4-2-1-3-5-10;1-24-10-13(15(23-24)12-7-8-28-17(12)20)19(27)22-14(16(25)18(21)26)9-11-5-3-2-4-6-11;1-10-8-13(11(2)27-10)15-16(23-28-22-15)19(26)21-14(17(24)18(20)25)9-12-6-4-3-5-7-12/h3-8,10,16,21H,9H2,1-2H3,(H2,24,29)(H,25,30);2-6,8-9,13H,7H2,1H3,(H2,22,27)(H,23,28);1-5,7-9,13,19H,6H2,(H2,23,28)(H,24,29);1-7,9,13,19H,8H2,(H2,23,28)(H,24,29);2-8,10,14H,9H2,1H3,(H2,21,26)(H,22,27);3-8,14H,9H2,1-2H3,(H2,20,25)(H,21,26)
• InChIKey: GTFPEFONXXWQET-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 729.28 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 37
• Rotatable Bonds: 45
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2538.55
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	37

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-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide (CID 158358927) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide is Cc1cc(-c2nn(C(F)F)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C)o1.Cc1cc(-c2nsnc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C)o1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cc(Cl)oc2Cl)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2ccoc2Cl)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccoc1Cl.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1coc(Cl)c1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide?

The InChIKey is GTFPEFONXXWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4.C19H16Cl2N4O4.2C19H15ClF2N4O4.C19H17ClN4O4.C19H18N4O4S/c1-11-8-14(12(2)31-11)17-15(10-27(26-17)21(22)23)20(30)25-16(18(28)19(24)29)9-13-6-4-3-5-7-13;1-25-9-12(15(24-25)11-8-14(20)29-17(11)21)19(28)23-13(16(26)18(22)27)7-10-5-3-2-4-6-10;20-14-7-11(9-30-14)15-12(8-26(25-15)19(21)22)18(29)24-13(16(27)17(23)28)6-10-4-2-1-3-5-10;20-16-11(6-7-30-16)14-12(9-26(25-14)19(21)22)18(29)24-13(15(27)17(23)28)8-10-4-2-1-3-5-10;1-24-10-13(15(23-24)12-7-8-28-17(12)20)19(27)22-14(16(25)18(21)26)9-11-5-3-2-4-6-11;1-10-8-13(11(2)27-10)15-16(23-28-22-15)19(26)21-14(17(24)18(20)25)9-12-6-4-3-5-7-12/h3-8,10,16,21H,9H2,1-2H3,(H2,24,29)(H,25,30);2-6,8-9,13H,7H2,1H3,(H2,22,27)(H,23,28);1-5,7-9,13,19H,6H2,(H2,23,28)(H,24,29);1-7,9,13,19H,8H2,(H2,23,28)(H,24,29);2-8,10,14H,9H2,1H3,(H2,21,26)(H,22,27);3-8,14H,9H2,1-2H3,(H2,20,25)(H,21,26).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 2538.55 g/mol, XLogP of 13.65, 45 rotatable bonds, 12 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-chlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-dimethylfuran-3-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,5-dimethylfuran-3-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 158358927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).