N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide

C107H103ClFN29O15 — CID 158386386

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide (PubChem CID 158386386) has the molecular formula C107H103ClFN29O15 and a molecular weight of 2089.64 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
• PubChem CID: 158386386
• Molecular Formula: C107H103ClFN29O15
• Molecular Weight: 2089.64 g/mol
• Exact Mass: 2087.79
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2cnccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ncccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(F)n2)n1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)nn1-c1ncccn1
• InChI: InChI=1S/C23H23N5O3.2C22H22N6O3.C21H19ClN6O3.C19H17FN6O3/c1-15-13-19(28(27-15)20-9-5-6-12-24-20)22(30)26-18(14-16-7-3-2-4-8-16)21(29)23(31)25-17-10-11-17;1-14-12-18(28(27-14)22-23-10-5-11-24-22)20(30)26-17(13-15-6-3-2-4-7-15)19(29)21(31)25-16-8-9-16;1-14-11-18(28(27-14)19-13-23-9-10-24-19)21(30)26-17(12-15-5-3-2-4-6-15)20(29)22(31)25-16-7-8-16;22-17-12-16(28(27-17)21-23-9-4-10-24-21)19(30)26-15(11-13-5-2-1-3-6-13)18(29)20(31)25-14-7-8-14;1-11-9-14(26(25-11)15-7-8-22-19(20)24-15)18(29)23-13(16(27)17(21)28)10-12-5-3-2-4-6-12/h2-9,12-13,17-18H,10-11,14H2,1H3,(H,25,31)(H,26,30);2-7,10-12,16-17H,8-9,13H2,1H3,(H,25,31)(H,26,30);2-6,9-11,13,16-17H,7-8,12H2,1H3,(H,25,31)(H,26,30);1-6,9-10,12,14-15H,7-8,11H2,(H,25,31)(H,26,30);2-9,13H,10H2,1H3,(H2,21,28)(H,23,29)
• InChIKey: GWKREDJXHHOBDS-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 595.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 39
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2089.64
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

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)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide (CID 158386386) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ccccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2cnccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NC2CC2)n(-c2ncccn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccnc(F)n2)n1.O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)c1cc(Cl)nn1-c1ncccn1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?

The InChIKey is GWKREDJXHHOBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3.2C22H22N6O3.C21H19ClN6O3.C19H17FN6O3/c1-15-13-19(28(27-15)20-9-5-6-12-24-20)22(30)26-18(14-16-7-3-2-4-8-16)21(29)23(31)25-17-10-11-17;1-14-12-18(28(27-14)22-23-10-5-11-24-22)20(30)26-17(13-15-6-3-2-4-7-15)19(29)21(31)25-16-8-9-16;1-14-11-18(28(27-14)19-13-23-9-10-24-19)21(30)26-17(12-15-5-3-2-4-6-15)20(29)22(31)25-16-7-8-16;22-17-12-16(28(27-17)21-23-9-4-10-24-21)19(30)26-15(11-13-5-2-1-3-6-13)18(29)20(31)25-14-7-8-14;1-11-9-14(26(25-11)15-7-8-22-19(20)24-15)18(29)23-13(16(27)17(21)28)10-12-5-3-2-4-6-12/h2-9,12-13,17-18H,10-11,14H2,1H3,(H,25,31)(H,26,30);2-7,10-12,16-17H,8-9,13H2,1H3,(H,25,31)(H,26,30);2-6,9-11,13,16-17H,7-8,12H2,1H3,(H,25,31)(H,26,30);1-6,9-10,12,14-15H,7-8,11H2,(H,25,31)(H,26,30);2-9,13H,10H2,1H3,(H2,21,28)(H,23,29).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide has a molecular weight of 2089.64 g/mol, XLogP of 6.09, 39 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-fluoropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;3-chloro-N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide;N-[4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 158386386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).