N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide

C120H114FN23O15S — CID 157068462

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide (PubChem CID 157068462) has the molecular formula C120H114FN23O15S and a molecular weight of 2169.44 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide
• PubChem CID: 157068462
• Molecular Formula: C120H114FN23O15S
• Molecular Weight: 2169.44 g/mol
• Exact Mass: 2167.86
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide
• SMILES: CC(C)(C)c1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2cncnc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)nn1-c1nc(-c2ccccc2)cs1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccc(F)cc3)cc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1[nH]ncc1-c1ccccc1
• InChI: InChI=1S/C27H23FN4O3.C27H25N5O3S.C24H26N4O3.C22H22N6O3.C20H18N4O3/c1-17-15-24(27(35)30-23(25(33)26(29)34)16-18-5-3-2-4-6-18)32(31-17)22-13-9-20(10-14-22)19-7-11-21(28)12-8-19;1-17-14-22(31-32(17)27-30-23(16-36-27)19-10-6-3-7-11-19)25(34)29-21(15-18-8-4-2-5-9-18)24(33)26(35)28-20-12-13-20;1-24(2,3)20-15-19(28(27-20)17-12-8-5-9-13-17)23(31)26-18(21(29)22(25)30)14-16-10-6-4-7-11-16;1-14-9-19(28(27-14)17-11-23-13-24-12-17)21(30)26-18(10-15-5-3-2-4-6-15)20(29)22(31)25-16-7-8-16;21-19(26)18(25)16(11-13-7-3-1-4-8-13)23-20(27)17-15(12-22-24-17)14-9-5-2-6-10-14/h2-15,23H,16H2,1H3,(H2,29,34)(H,30,35);2-11,14,16,20-21H,12-13,15H2,1H3,(H,28,35)(H,29,34);4-13,15,18H,14H2,1-3H3,(H2,25,30)(H,26,31);2-6,9,11-13,16,18H,7-8,10H2,1H3,(H,25,31)(H,26,30);1-10,12,16H,11H2,(H2,21,26)(H,22,24)(H,23,27)
• InChIKey: ACDOKGWDNSGOKR-UHFFFAOYSA-N
• XLogP: 12.07
• TPSA: 556.95 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 28
• Rotatable Bonds: 39
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2169.44
LogP ≤ 5	12.07
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	28

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-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide (CID 157068462) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide is CC(C)(C)c1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccccc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2cncnc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)nn1-c1nc(-c2ccccc2)cs1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccc(F)cc3)cc2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1[nH]ncc1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide?

The InChIKey is ACDOKGWDNSGOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O3.C27H25N5O3S.C24H26N4O3.C22H22N6O3.C20H18N4O3/c1-17-15-24(27(35)30-23(25(33)26(29)34)16-18-5-3-2-4-6-18)32(31-17)22-13-9-20(10-14-22)19-7-11-21(28)12-8-19;1-17-14-22(31-32(17)27-30-23(16-36-27)19-10-6-3-7-11-19)25(34)29-21(15-18-8-4-2-5-9-18)24(33)26(35)28-20-12-13-20;1-24(2,3)20-15-19(28(27-20)17-12-8-5-9-13-17)23(31)26-18(21(29)22(25)30)14-16-10-6-4-7-11-16;1-14-9-19(28(27-14)17-11-23-13-24-12-17)21(30)26-18(10-15-5-3-2-4-6-15)20(29)22(31)25-16-7-8-16;21-19(26)18(25)16(11-13-7-3-1-4-8-13)23-20(27)17-15(12-22-24-17)14-9-5-2-6-10-14/h2-15,23H,16H2,1H3,(H2,29,34)(H,30,35);2-11,14,16,20-21H,12-13,15H2,1H3,(H,28,35)(H,29,34);4-13,15,18H,14H2,1-3H3,(H2,25,30)(H,26,31);2-6,9,11-13,16,18H,7-8,10H2,1H3,(H,25,31)(H,26,30);1-10,12,16H,11H2,(H2,21,26)(H,22,24)(H,23,27).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide has a molecular weight of 2169.44 g/mol, XLogP of 12.07, 39 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-tert-butyl-1-phenylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(4-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-phenyl-1H-pyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-5-ylpyrazole-3-carboxamide is sourced from PubChem (CID 157068462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).