N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide

C130H112F9N27O20S — CID 161472202

About N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide

N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide (PubChem CID 161472202) has the molecular formula C130H112F9N27O20S and a molecular weight of 2575.54 g/mol. Its IUPAC name is N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide
• PubChem CID: 161472202
• Molecular Formula: C130H112F9N27O20S
• Molecular Weight: 2575.54 g/mol
• Exact Mass: 2573.82
• IUPAC Name: N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide
• SMILES: C#CCC(NC(=O)c1cn(C)nc1-c1ccccc1F)C(=O)C(N)=O.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C2CCCCC2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2cccnc2c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2cnccc2c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2ncccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1OC(F)(F)O2
• InChI: InChI=1S/3C24H19F2N5O3.C21H26N4O3.C20H14F2N4O5S.C17H15FN4O3/c25-24(26)31-13-17(20(30-31)16-8-4-10-18-15(16)9-5-11-28-18)23(34)29-19(21(32)22(27)33)12-14-6-2-1-3-7-14;25-24(26)31-13-17(20(30-31)16-9-8-15-7-4-10-28-18(15)12-16)23(34)29-19(21(32)22(27)33)11-14-5-2-1-3-6-14;25-24(26)31-13-18(20(30-31)16-6-7-17-12-28-9-8-15(17)11-16)23(34)29-19(21(32)22(27)33)10-14-4-2-1-3-5-14;1-25-13-16(18(24-25)15-10-6-3-7-11-15)21(28)23-17(19(26)20(22)27)12-14-8-4-2-5-9-14;21-20(22)30-13-8-4-7-11(17(13)31-20)14-15(26-32-25-14)19(29)24-12(16(27)18(23)28)9-10-5-2-1-3-6-10;1-3-6-13(15(23)16(19)24)20-17(25)11-9-22(2)21-14(11)10-7-4-5-8-12(10)18/h1-11,13,19,24H,12H2,(H2,27,33)(H,29,34);1-10,12-13,19,24H,11H2,(H2,27,33)(H,29,34);1-9,11-13,19,24H,10H2,(H2,27,33)(H,29,34);2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3,(H2,22,27)(H,23,28);1-8,12H,9H2,(H2,23,28)(H,24,29);1,4-5,7-9,13H,6H2,2H3,(H2,19,24)(H,20,25)
• InChIKey: WDFXHSFCQNBOFB-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 707.57 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 44
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2575.54
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide?

The IUPAC name of N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide (CID 161472202) is N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide?

The canonical SMILES for N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide is C#CCC(NC(=O)c1cn(C)nc1-c1ccccc1F)C(=O)C(N)=O.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c(C2CCCCC2)n1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2cccnc2c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1ccc2cnccc2c1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cccc2ncccc12.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1nsnc1-c1cccc2c1OC(F)(F)O2.

What is the InChIKey of N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide?

The InChIKey is WDFXHSFCQNBOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H19F2N5O3.C21H26N4O3.C20H14F2N4O5S.C17H15FN4O3/c25-24(26)31-13-17(20(30-31)16-8-4-10-18-15(16)9-5-11-28-18)23(34)29-19(21(32)22(27)33)12-14-6-2-1-3-7-14;25-24(26)31-13-17(20(30-31)16-9-8-15-7-4-10-28-18(15)12-16)23(34)29-19(21(32)22(27)33)11-14-5-2-1-3-6-14;25-24(26)31-13-18(20(30-31)16-6-7-17-12-28-9-8-15(17)11-16)23(34)29-19(21(32)22(27)33)10-14-4-2-1-3-5-14;1-25-13-16(18(24-25)15-10-6-3-7-11-15)21(28)23-17(19(26)20(22)27)12-14-8-4-2-5-9-14;21-20(22)30-13-8-4-7-11(17(13)31-20)14-15(26-32-25-14)19(29)24-12(16(27)18(23)28)9-10-5-2-1-3-6-10;1-3-6-13(15(23)16(19)24)20-17(25)11-9-22(2)21-14(11)10-7-4-5-8-12(10)18/h1-11,13,19,24H,12H2,(H2,27,33)(H,29,34);1-10,12-13,19,24H,11H2,(H2,27,33)(H,29,34);1-9,11-13,19,24H,10H2,(H2,27,33)(H,29,34);2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3,(H2,22,27)(H,23,28);1-8,12H,9H2,(H2,23,28)(H,24,29);1,4-5,7-9,13H,6H2,2H3,(H2,19,24)(H,20,25).

What are the key properties of N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide?

N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide has a molecular weight of 2575.54 g/mol, XLogP of 12.85, 44 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-1,2-dioxohex-5-yn-3-yl)-3-(2-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-cyclohexyl-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-(2,2-difluoro-1,3-benzodioxol-4-yl)-1,2,5-thiadiazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-isoquinolin-6-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-5-ylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-quinolin-7-ylpyrazole-4-carboxamide is sourced from PubChem (CID 161472202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).