N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide

C114H96F12N20O17 — CID 158183299

About N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide

N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide (PubChem CID 158183299) has the molecular formula C114H96F12N20O17 and a molecular weight of 2246.12 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide
• PubChem CID: 158183299
• Molecular Formula: C114H96F12N20O17
• Molecular Weight: 2246.12 g/mol
• Exact Mass: 2244.71
• IUPAC Name: N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide
• SMILES: Cc1cc(F)cc(-c2nn(C(F)F)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)N[C@H](C(=O)C(N)=O)C2Cc3ccccc3C2)c(-c2ccccc2F)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cc(F)ccc1F.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2ccccc2c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2c1OCCO2
• InChI: InChI=1S/C25H20F2N4O3.C23H20F2N4O5.C23H21FN4O3.C22H19F3N4O3.C21H16F4N4O3/c26-25(27)31-14-19(21(30-31)18-11-10-16-8-4-5-9-17(16)13-18)24(34)29-20(22(32)23(28)33)12-15-6-2-1-3-7-15;24-23(25)29-12-15(18(28-29)14-7-4-8-17-20(14)34-10-9-33-17)22(32)27-16(19(30)21(26)31)11-13-5-2-1-3-6-13;1-28-12-17(20(27-28)16-8-4-5-9-18(16)24)23(31)26-19(21(29)22(25)30)15-10-13-6-2-3-7-14(13)11-15;1-12-7-14(10-15(23)8-12)18-16(11-29(28-18)22(24)25)21(32)27-17(19(30)20(26)31)9-13-5-3-2-4-6-13;22-12-6-7-15(23)13(9-12)17-14(10-29(28-17)21(24)25)20(32)27-16(18(30)19(26)31)8-11-4-2-1-3-5-11/h1-11,13-14,20,25H,12H2,(H2,28,33)(H,29,34);1-8,12,16,23H,9-11H2,(H2,26,31)(H,27,32);2-9,12,15,19H,10-11H2,1H3,(H2,25,30)(H,26,31);2-8,10-11,17,22H,9H2,1H3,(H2,26,31)(H,27,32);1-7,9-10,16,21H,8H2,(H2,26,31)(H,27,32)/t;;19-;;/m..0../s1
• InChIKey: FYVWURMTGXBKSF-UGQFJFPUSA-N
• XLogP: 12.81
• TPSA: 553.86 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 38
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.12
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide (CID 158183299) is N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide is Cc1cc(F)cc(-c2nn(C(F)F)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)N[C@H](C(=O)C(N)=O)C2Cc3ccccc3C2)c(-c2ccccc2F)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cc(F)ccc1F.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2ccccc2c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2c1OCCO2.

What is the InChIKey of N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide?

The InChIKey is FYVWURMTGXBKSF-UGQFJFPUSA-N. The full InChI is InChI=1S/C25H20F2N4O3.C23H20F2N4O5.C23H21FN4O3.C22H19F3N4O3.C21H16F4N4O3/c26-25(27)31-14-19(21(30-31)18-11-10-16-8-4-5-9-17(16)13-18)24(34)29-20(22(32)23(28)33)12-15-6-2-1-3-7-15;24-23(25)29-12-15(18(28-29)14-7-4-8-17-20(14)34-10-9-33-17)22(32)27-16(19(30)21(26)31)11-13-5-2-1-3-6-13;1-28-12-17(20(27-28)16-8-4-5-9-18(16)24)23(31)26-19(21(29)22(25)30)15-10-13-6-2-3-7-14(13)11-15;1-12-7-14(10-15(23)8-12)18-16(11-29(28-18)22(24)25)21(32)27-17(19(30)20(26)31)9-13-5-3-2-4-6-13;22-12-6-7-15(23)13(9-12)17-14(10-29(28-17)21(24)25)20(32)27-16(18(30)19(26)31)8-11-4-2-1-3-5-11/h1-11,13-14,20,25H,12H2,(H2,28,33)(H,29,34);1-8,12,16,23H,9-11H2,(H2,26,31)(H,27,32);2-9,12,15,19H,10-11H2,1H3,(H2,25,30)(H,26,31);2-8,10-11,17,22H,9H2,1H3,(H2,26,31)(H,27,32);1-7,9-10,16,21H,8H2,(H2,26,31)(H,27,32)/t;;19-;;/m..0../s1.

What are the key properties of N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide?

N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide has a molecular weight of 2246.12 g/mol, XLogP of 12.81, 38 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-3-amino-1-(2,3-dihydro-1H-inden-2-yl)-2,3-dioxopropyl]-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,5-difluorophenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-(3-fluoro-5-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-naphthalen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 158183299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).