N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

C128H116F8N24O20 — CID 167708149

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 167708149) has the molecular formula C128H116F8N24O20 and a molecular weight of 2462.47 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
• PubChem CID: 167708149
• Molecular Formula: C128H116F8N24O20
• Molecular Weight: 2462.47 g/mol
• Exact Mass: 2460.87
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
• SMILES: COc1cncc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.Cn1cc(C(=O)NC(C=O)c2ccccc2C(F)(F)F)c(-c2ccccc2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cc(F)ccc2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3c2OCO3)n1
• InChI: InChI=1S/2C22H21FN4O3.C22H20N4O5.C21H18F2N4O3.C21H21N5O4.C20H15F4N3O2/c2*1-13-7-6-10-15(18(13)23)19-16(12-27(2)26-19)22(30)25-17(20(28)21(24)29)11-14-8-4-3-5-9-14;1-26-11-15(18(25-26)14-8-5-9-17-20(14)31-12-30-17)22(29)24-16(19(27)21(23)28)10-13-6-3-2-4-7-13;1-27-11-15(18(26-27)14-10-13(22)7-8-16(14)23)21(30)25-17(19(28)20(24)29)9-12-5-3-2-4-6-12;1-26-12-16(18(25-26)14-9-15(30-2)11-23-10-14)21(29)24-17(19(27)20(22)28)8-13-6-4-3-5-7-13;1-27-10-14(18(26-27)13-7-3-5-9-16(13)21)19(29)25-17(11-28)12-6-2-4-8-15(12)20(22,23)24/h2*3-10,12,17H,11H2,1-2H3,(H2,24,29)(H,25,30);2-9,11,16H,10,12H2,1H3,(H2,23,28)(H,24,29);2-8,10-11,17H,9H2,1H3,(H2,24,29)(H,25,30);3-7,9-12,17H,8H2,1-2H3,(H2,22,28)(H,24,29);2-11,17H,1H3,(H,25,29)
• InChIKey: ZKNPQFCVIHAMCA-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 639.97 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 41
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2462.47
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 167708149) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide is COc1cncc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1F.Cn1cc(C(=O)NC(C=O)c2ccccc2C(F)(F)F)c(-c2ccccc2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cc(F)ccc2F)n1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(-c2cccc3c2OCO3)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?

The InChIKey is ZKNPQFCVIHAMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21FN4O3.C22H20N4O5.C21H18F2N4O3.C21H21N5O4.C20H15F4N3O2/c2*1-13-7-6-10-15(18(13)23)19-16(12-27(2)26-19)22(30)25-17(20(28)21(24)29)11-14-8-4-3-5-9-14;1-26-11-15(18(25-26)14-8-5-9-17-20(14)31-12-30-17)22(29)24-16(19(27)21(23)28)10-13-6-3-2-4-7-13;1-27-11-15(18(26-27)14-10-13(22)7-8-16(14)23)21(30)25-17(19(28)20(24)29)9-12-5-3-2-4-6-12;1-26-12-16(18(25-26)14-9-15(30-2)11-23-10-14)21(29)24-17(19(27)20(22)28)8-13-6-4-3-5-7-13;1-27-10-14(18(26-27)13-7-3-5-9-16(13)21)19(29)25-17(11-28)12-6-2-4-8-15(12)20(22,23)24/h2*3-10,12,17H,11H2,1-2H3,(H2,24,29)(H,25,30);2-9,11,16H,10,12H2,1H3,(H2,23,28)(H,24,29);2-8,10-11,17H,9H2,1H3,(H2,24,29)(H,25,30);3-7,9-12,17H,8H2,1-2H3,(H2,22,28)(H,24,29);2-11,17H,1H3,(H,25,29).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 2462.47 g/mol, XLogP of 11.63, 41 rotatable bonds, 11 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)-3-(1,3-benzodioxol-4-yl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-difluorophenyl)-1-methylpyrazole-4-carboxamide;bis(N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-fluoro-3-methylphenyl)-1-methylpyrazole-4-carboxamide);N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(5-methoxy-3-pyridinyl)-1-methylpyrazole-4-carboxamide;3-(2-fluorophenyl)-1-methyl-N-[2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167708149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).