N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide

C100H83F3N18O12 — CID 165016086

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide (PubChem CID 165016086) has the molecular formula C100H83F3N18O12 and a molecular weight of 1785.87 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide
• PubChem CID: 165016086
• Molecular Formula: C100H83F3N18O12
• Molecular Weight: 1785.87 g/mol
• Exact Mass: 1784.64
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide
• SMILES: Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-n2ncc3ccccc32)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2cccc(F)c2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2ccccc2F)nc1-c1ccccc1
• InChI: InChI=1S/3C26H21FN4O3.C22H20N6O3/c27-20-13-7-8-14-22(20)31-16-19(23(30-31)18-11-5-2-6-12-18)26(34)29-21(24(32)25(28)33)15-17-9-3-1-4-10-17;27-19-12-7-13-20(15-19)31-16-21(23(30-31)18-10-5-2-6-11-18)26(34)29-22(24(32)25(28)33)14-17-8-3-1-4-9-17;27-19-11-13-20(14-12-19)31-16-21(23(30-31)18-9-5-2-6-10-18)26(34)29-22(24(32)25(28)33)15-17-7-3-1-4-8-17;1-27-13-16(21(26-27)28-18-10-6-5-9-15(18)12-24-28)22(31)25-17(19(29)20(23)30)11-14-7-3-2-4-8-14/h1-14,16,21H,15H2,(H2,28,33)(H,29,34);1-13,15-16,22H,14H2,(H2,28,33)(H,29,34);1-14,16,22H,15H2,(H2,28,33)(H,29,34);2-10,12-13,17H,11H2,1H3,(H2,23,30)(H,25,31)
• InChIKey: KLCSMVMHVVSUOX-UHFFFAOYSA-N
• XLogP: 10.38
• TPSA: 446.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1785.87
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

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)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide (CID 165016086) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-n2ncc3ccccc32)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2ccc(F)cc2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2cccc(F)c2)nc1-c1ccccc1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(-c2ccccc2F)nc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide?

The InChIKey is KLCSMVMHVVSUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H21FN4O3.C22H20N6O3/c27-20-13-7-8-14-22(20)31-16-19(23(30-31)18-11-5-2-6-12-18)26(34)29-21(24(32)25(28)33)15-17-9-3-1-4-10-17;27-19-12-7-13-20(15-19)31-16-21(23(30-31)18-10-5-2-6-11-18)26(34)29-22(24(32)25(28)33)14-17-8-3-1-4-9-17;27-19-11-13-20(14-12-19)31-16-21(23(30-31)18-9-5-2-6-10-18)26(34)29-22(24(32)25(28)33)15-17-7-3-1-4-8-17;1-27-13-16(21(26-27)28-18-10-6-5-9-15(18)12-24-28)22(31)25-17(19(29)20(23)30)11-14-7-3-2-4-8-14/h1-14,16,21H,15H2,(H2,28,33)(H,29,34);1-13,15-16,22H,14H2,(H2,28,33)(H,29,34);1-14,16,22H,15H2,(H2,28,33)(H,29,34);2-10,12-13,17H,11H2,1H3,(H2,23,30)(H,25,31).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide has a molecular weight of 1785.87 g/mol, XLogP of 10.38, 31 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(3-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-indazol-1-yl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 165016086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).