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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide;formaldehyde

C128H126N24O18 — CID 158832775

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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide;formaldehyde (PubChem CID 158832775) has the molecular formula C128H126N24O18 and a molecular weight of 2288.57 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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide;formaldehyde
• PubChem CID: 158832775
• Molecular Formula: C128H126N24O18
• Molecular Weight: 2288.57 g/mol
• Exact Mass: 2286.97
• 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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide;formaldehyde
• SMILES: C=O.CCOCCc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.Cc1cc(-n2nc(C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cc2C)nc(C)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccccc3)nn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(COc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(Cc3ccccc3)c2)n1
• InChI: InChI=1S/C28H26N4O4.C28H26N4O3.C25H22N6O3.C25H28N4O4.C21H22N6O3.CH2O/c1-19-15-25(28(35)30-24(26(33)27(29)34)17-20-9-4-2-5-10-20)32(31-19)22-12-8-11-21(16-22)18-36-23-13-6-3-7-14-23;1-19-15-25(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;1-16-14-21(25(34)27-20(23(32)24(26)33)15-17-8-4-2-5-9-17)31(30-16)22-13-12-19(28-29-22)18-10-6-3-7-11-18;1-3-33-14-13-18-9-11-20(12-10-18)29-22(15-17(2)28-29)25(32)27-21(23(30)24(26)31)16-19-7-5-4-6-8-19;1-12-9-18(24-14(3)23-12)27-13(2)10-17(26-27)21(30)25-16(19(28)20(22)29)11-15-7-5-4-6-8-15;1-2/h2-16,24H,17-18H2,1H3,(H2,29,34)(H,30,35);2-15,17,24H,16,18H2,1H3,(H2,29,34)(H,30,35);2-14,20H,15H2,1H3,(H2,26,33)(H,27,34);4-12,15,21H,3,13-14,16H2,1-2H3,(H2,26,31)(H,27,32);4-10,16H,11H2,1-3H3,(H2,22,29)(H,25,30);1H2
• InChIKey: IXGIIWRXXXYRCD-UHFFFAOYSA-N
• XLogP: 11.31
• TPSA: 622.49 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 45
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.57
LogP ≤ 5	11.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide;formaldehyde (CID 158832775) 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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide;formaldehyde is C=O.CCOCCc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.Cc1cc(-n2nc(C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cc2C)nc(C)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(-c3ccccc3)nn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(COc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(Cc3ccccc3)c2)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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide;formaldehyde?

The InChIKey is IXGIIWRXXXYRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4.C28H26N4O3.C25H22N6O3.C25H28N4O4.C21H22N6O3.CH2O/c1-19-15-25(28(35)30-24(26(33)27(29)34)17-20-9-4-2-5-10-20)32(31-19)22-12-8-11-21(16-22)18-36-23-13-6-3-7-14-23;1-19-15-25(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;1-16-14-21(25(34)27-20(23(32)24(26)33)15-17-8-4-2-5-9-17)31(30-16)22-13-12-19(28-29-22)18-10-6-3-7-11-18;1-3-33-14-13-18-9-11-20(12-10-18)29-22(15-17(2)28-29)25(32)27-21(23(30)24(26)31)16-19-7-5-4-6-8-19;1-12-9-18(24-14(3)23-12)27-13(2)10-17(26-27)21(30)25-16(19(28)20(22)29)11-15-7-5-4-6-8-15;1-2/h2-16,24H,17-18H2,1H3,(H2,29,34)(H,30,35);2-15,17,24H,16,18H2,1H3,(H2,29,34)(H,30,35);2-14,20H,15H2,1H3,(H2,26,33)(H,27,34);4-12,15,21H,3,13-14,16H2,1-2H3,(H2,26,31)(H,27,32);4-10,16H,11H2,1-3H3,(H2,22,29)(H,25,30);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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide;formaldehyde has a molecular weight of 2288.57 g/mol, XLogP of 11.31, 45 rotatable bonds, 10 hydrogen bond donors, and 32 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)-1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-(2-ethoxyethyl)phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[3-(phenoxymethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(6-phenylpyridazin-3-yl)pyrazole-3-carboxamide;formaldehyde is sourced from PubChem (CID 158832775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).