N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride

C126H126ClN23O19 — CID 161121917

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride (PubChem CID 161121917) has the molecular formula C126H126ClN23O19 and a molecular weight of 2301.99 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride
• PubChem CID: 161121917
• Molecular Formula: C126H126ClN23O19
• Molecular Weight: 2301.99 g/mol
• Exact Mass: 2299.93
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride
• SMILES: CCOC(=O)NCc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CCCc3ccccc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CNC(=O)Oc3ccccc3)cc2)n1.Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cl.Cn1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccn1
• InChI: InChI=1S/C30H30N4O3.C29H27N5O5.C25H27N5O5.C22H22N4O3.C20H19N5O3.ClH/c1-21-19-27(30(37)32-26(28(35)29(31)36)20-24-11-6-3-7-12-24)34(33-21)25-17-15-23(16-18-25)14-8-13-22-9-4-2-5-10-22;1-19-16-25(28(37)32-24(26(35)27(30)36)17-20-8-4-2-5-9-20)34(33-19)22-14-12-21(13-15-22)18-31-29(38)39-23-10-6-3-7-11-23;1-3-35-25(34)27-15-18-9-11-19(12-10-18)30-21(13-16(2)29-30)24(33)28-20(22(31)23(26)32)14-17-7-5-4-6-8-17;1-14-7-6-10-16(11-14)19-17(13-26(2)25-19)22(29)24-18(20(27)21(23)28)12-15-8-4-3-5-9-15;1-25-17(15-9-5-6-10-22-15)14(12-23-25)20(28)24-16(18(26)19(21)27)11-13-7-3-2-4-8-13;/h2-7,9-12,15-19,26H,8,13-14,20H2,1H3,(H2,31,36)(H,32,37);2-16,24H,17-18H2,1H3,(H2,30,36)(H,31,38)(H,32,37);4-13,20H,3,14-15H2,1-2H3,(H2,26,32)(H,27,34)(H,28,33);3-11,13,18H,12H2,1-2H3,(H2,23,28)(H,24,29);2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28);1H
• InChIKey: PPCGSLROASMENM-UHFFFAOYSA-N
• XLogP: 11.53
• TPSA: 624.95 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 45
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2301.99
LogP ≤ 5	11.53
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'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)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride (CID 161121917) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride is CCOC(=O)NCc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CCCc3ccccc3)cc2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CNC(=O)Oc3ccccc3)cc2)n1.Cc1cccc(-c2nn(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cl.Cn1ncc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1-c1ccccn1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride?

The InChIKey is PPCGSLROASMENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3.C29H27N5O5.C25H27N5O5.C22H22N4O3.C20H19N5O3.ClH/c1-21-19-27(30(37)32-26(28(35)29(31)36)20-24-11-6-3-7-12-24)34(33-21)25-17-15-23(16-18-25)14-8-13-22-9-4-2-5-10-22;1-19-16-25(28(37)32-24(26(35)27(30)36)17-20-8-4-2-5-9-20)34(33-19)22-14-12-21(13-15-22)18-31-29(38)39-23-10-6-3-7-11-23;1-3-35-25(34)27-15-18-9-11-19(12-10-18)30-21(13-16(2)29-30)24(33)28-20(22(31)23(26)32)14-17-7-5-4-6-8-17;1-14-7-6-10-16(11-14)19-17(13-26(2)25-19)22(29)24-18(20(27)21(23)28)12-15-8-4-3-5-9-15;1-25-17(15-9-5-6-10-22-15)14(12-23-25)20(28)24-16(18(26)19(21)27)11-13-7-3-2-4-8-13;/h2-7,9-12,15-19,26H,8,13-14,20H2,1H3,(H2,31,36)(H,32,37);2-16,24H,17-18H2,1H3,(H2,30,36)(H,31,38)(H,32,37);4-13,20H,3,14-15H2,1-2H3,(H2,26,32)(H,27,34)(H,28,33);3-11,13,18H,12H2,1-2H3,(H2,23,28)(H,24,29);2-10,12,16H,11H2,1H3,(H2,21,27)(H,24,28);1H.

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride has a molecular weight of 2301.99 g/mol, XLogP of 11.53, 45 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(3-methylphenyl)pyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(3-phenylpropyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-5-pyridin-2-ylpyrazole-4-carboxamide;ethyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;phenyl N-[[4-[5-[(4-amino-3,4-dioxo-1-phenylbutan-2-yl)carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;hydrochloride is sourced from PubChem (CID 161121917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).