N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde

C117H115N25O19 — CID 159238696

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde (PubChem CID 159238696) has the molecular formula C117H115N25O19 and a molecular weight of 2175.36 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde
• PubChem CID: 159238696
• Molecular Formula: C117H115N25O19
• Molecular Weight: 2175.36 g/mol
• Exact Mass: 2173.88
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde
• SMILES: C=O.COc1nccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(OC3CCOCC3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(Cc3ccccc3)c2)n1.Cc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.[C-]#[N+]c1nccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1
• InChI: InChI=1S/C28H26N4O3.C26H28N4O5.C22H22N4O3.C20H17N7O3.C20H20N6O4.CH2O/c1-19-15-25(28(35)30-24(26(33)27(29)34)18-21-11-6-3-7-12-21)32(31-19)23-14-8-13-22(17-23)16-20-9-4-2-5-10-20;1-17-15-23(26(33)28-22(24(31)25(27)32)16-18-5-3-2-4-6-18)30(29-17)19-7-9-20(10-8-19)35-21-11-13-34-14-12-21;1-14-8-10-17(11-9-14)26-19(12-15(2)25-26)22(29)24-18(20(27)21(23)28)13-16-6-4-3-5-7-16;1-12-10-15(27(26-12)16-8-9-23-20(22-2)25-16)19(30)24-14(17(28)18(21)29)11-13-6-4-3-5-7-13;1-12-10-15(26(25-12)16-8-9-22-20(24-16)30-2)19(29)23-14(17(27)18(21)28)11-13-6-4-3-5-7-13;1-2/h2-15,17,24H,16,18H2,1H3,(H2,29,34)(H,30,35);2-10,15,21-22H,11-14,16H2,1H3,(H2,27,32)(H,28,33);3-12,18H,13H2,1-2H3,(H2,23,28)(H,24,29);3-10,14H,11H2,1H3,(H2,21,29)(H,24,30);3-10,14H,11H2,1-2H3,(H2,21,28)(H,23,29);1H2
• InChIKey: KTUHTYUNTBJXQL-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 636.08 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2175.36
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', '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)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde (CID 159238696) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde is C=O.COc1nccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(OC3CCOCC3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(Cc3ccccc3)c2)n1.Cc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.[C-]#[N+]c1nccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde?

The InChIKey is KTUHTYUNTBJXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3.C26H28N4O5.C22H22N4O3.C20H17N7O3.C20H20N6O4.CH2O/c1-19-15-25(28(35)30-24(26(33)27(29)34)18-21-11-6-3-7-12-21)32(31-19)23-14-8-13-22(17-23)16-20-9-4-2-5-10-20;1-17-15-23(26(33)28-22(24(31)25(27)32)16-18-5-3-2-4-6-18)30(29-17)19-7-9-20(10-8-19)35-21-11-13-34-14-12-21;1-14-8-10-17(11-9-14)26-19(12-15(2)25-26)22(29)24-18(20(27)21(23)28)13-16-6-4-3-5-7-16;1-12-10-15(27(26-12)16-8-9-23-20(22-2)25-16)19(30)24-14(17(28)18(21)29)11-13-6-4-3-5-7-13;1-12-10-15(26(25-12)16-8-9-22-20(24-16)30-2)19(29)23-14(17(27)18(21)28)11-13-6-4-3-5-7-13;1-2/h2-15,17,24H,16,18H2,1H3,(H2,29,34)(H,30,35);2-10,15,21-22H,11-14,16H2,1H3,(H2,27,32)(H,28,33);3-12,18H,13H2,1-2H3,(H2,23,28)(H,24,29);3-10,14H,11H2,1H3,(H2,21,29)(H,24,30);3-10,14H,11H2,1-2H3,(H2,21,28)(H,23,29);1H2.

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde has a molecular weight of 2175.36 g/mol, XLogP of 8.29, 40 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-benzylphenyl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-isocyanopyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(2-methoxypyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(4-methylphenyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(oxan-4-yloxy)phenyl]pyrazole-3-carboxamide;formaldehyde is sourced from PubChem (CID 159238696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).