N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

C141H130ClF5N30O22 — CID 167680008

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate (PubChem CID 167680008) has the molecular formula C141H130ClF5N30O22 and a molecular weight of 2727.22 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
• PubChem CID: 167680008
• Molecular Formula: C141H130ClF5N30O22
• Molecular Weight: 2727.22 g/mol
• Exact Mass: 2724.96
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
• SMILES: Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)OCc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)Oc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ncccc2C)n1.Cc1cccnc1-n1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1C.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(Cl)cnn1-c1ncccn1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(C(F)(F)C(F)(F)F)nn1-c1ccccc1
• InChI: InChI=1S/C30H29N5O5.C29H27N5O5.C22H17F5N4O3.2C21H21N5O3.C18H15ClN6O3/c1-20-15-26(29(38)33-25(27(36)28(31)37)17-21-9-4-2-5-10-21)35(34-20)24-14-8-13-23(16-24)18-32-30(39)40-19-22-11-6-3-7-12-22;1-19-15-25(28(37)32-24(26(35)27(30)36)17-20-9-4-2-5-10-20)34(33-19)22-12-8-11-21(16-22)18-31-29(38)39-23-13-6-3-7-14-23;23-21(24,22(25,26)27)17-12-16(31(30-17)14-9-5-2-6-10-14)20(34)29-15(18(32)19(28)33)11-13-7-3-1-4-8-13;1-13-7-6-10-23-20(13)26-14(2)11-17(25-26)21(29)24-16(18(27)19(22)28)12-15-8-4-3-5-9-15;1-13-7-6-10-23-20(13)26-17(11-14(2)25-26)21(29)24-16(18(27)19(22)28)12-15-8-4-3-5-9-15;19-12-10-23-25(18-21-7-4-8-22-18)14(12)17(28)24-13(15(26)16(20)27)9-11-5-2-1-3-6-11/h2-16,25H,17-19H2,1H3,(H2,31,37)(H,32,39)(H,33,38);2-16,24H,17-18H2,1H3,(H2,30,36)(H,31,38)(H,32,37);1-10,12,15H,11H2,(H2,28,33)(H,29,34);2*3-11,16H,12H2,1-2H3,(H2,22,28)(H,24,29);1-8,10,13H,9H2,(H2,20,27)(H,24,28)
• InChIKey: VJUUUUZDBKCSKN-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 770.70 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 38
• Rotatable Bonds: 50
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2727.22
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate (CID 167680008) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)OCc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2cccc(CNC(=O)Oc3ccccc3)c2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ncccc2C)n1.Cc1cccnc1-n1nc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1C.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1c(Cl)cnn1-c1ncccn1.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cc(C(F)(F)C(F)(F)F)nn1-c1ccccc1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate?

The InChIKey is VJUUUUZDBKCSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N5O5.C29H27N5O5.C22H17F5N4O3.2C21H21N5O3.C18H15ClN6O3/c1-20-15-26(29(38)33-25(27(36)28(31)37)17-21-9-4-2-5-10-21)35(34-20)24-14-8-13-23(16-24)18-32-30(39)40-19-22-11-6-3-7-12-22;1-19-15-25(28(37)32-24(26(35)27(30)36)17-20-9-4-2-5-10-20)34(33-19)22-12-8-11-21(16-22)18-31-29(38)39-23-13-6-3-7-14-23;23-21(24,22(25,26)27)17-12-16(31(30-17)14-9-5-2-6-10-14)20(34)29-15(18(32)19(28)33)11-13-7-3-1-4-8-13;1-13-7-6-10-23-20(13)26-14(2)11-17(25-26)21(29)24-16(18(27)19(22)28)12-15-8-4-3-5-9-15;1-13-7-6-10-23-20(13)26-17(11-14(2)25-26)21(29)24-16(18(27)19(22)28)12-15-8-4-3-5-9-15;19-12-10-23-25(18-21-7-4-8-22-18)14(12)17(28)24-13(15(26)16(20)27)9-11-5-2-1-3-6-11/h2-16,25H,17-19H2,1H3,(H2,31,37)(H,32,39)(H,33,38);2-16,24H,17-18H2,1H3,(H2,30,36)(H,31,38)(H,32,37);1-10,12,15H,11H2,(H2,28,33)(H,29,34);2*3-11,16H,12H2,1-2H3,(H2,22,28)(H,24,29);1-8,10,13H,9H2,(H2,20,27)(H,24,28).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate has a molecular weight of 2727.22 g/mol, XLogP of 12.06, 50 rotatable bonds, 14 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-4-chloro-1-pyrimidin-2-ylpyrazole-5-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(1,1,2,2,2-pentafluoroethyl)-1-phenylpyrazole-5-carboxamide;benzyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[3-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 167680008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).