N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

C131H142F3N23O23 — CID 162144268

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (PubChem CID 162144268) has the molecular formula C131H142F3N23O23 and a molecular weight of 2463.71 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
• PubChem CID: 162144268
• Molecular Formula: C131H142F3N23O23
• Molecular Weight: 2463.71 g/mol
• Exact Mass: 2462.06
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
• SMILES: CCN(CC)Cc1ccc(Oc2ccc(-n3nc(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cc2)cc1.COCCOCCOc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.COCCOCCOc1cccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CN3CCOCC3)cc2)n1
• InChI: InChI=1S/C32H35N5O4.C26H29N5O4.2C26H30N4O6.C21H18F3N5O3/c1-4-36(5-2)21-24-11-15-26(16-12-24)41-27-17-13-25(14-18-27)37-29(19-22(3)35-37)32(40)34-28(30(38)31(33)39)20-23-9-7-6-8-10-23;1-18-15-23(26(34)28-22(24(32)25(27)33)16-19-5-3-2-4-6-19)31(29-18)21-9-7-20(8-10-21)17-30-11-13-35-14-12-30;1-18-15-23(26(33)28-22(24(31)25(27)32)16-19-7-4-3-5-8-19)30(29-18)20-9-6-10-21(17-20)36-14-13-35-12-11-34-2;1-18-16-23(26(33)28-22(24(31)25(27)32)17-19-6-4-3-5-7-19)30(29-18)20-8-10-21(11-9-20)36-15-14-35-13-12-34-2;1-12-9-16(29(28-12)17-8-7-14(11-26-17)21(22,23)24)20(32)27-15(18(30)19(25)31)10-13-5-3-2-4-6-13/h6-19,28H,4-5,20-21H2,1-3H3,(H2,33,39)(H,34,40);2-10,15,22H,11-14,16-17H2,1H3,(H2,27,33)(H,28,34);3-10,15,17,22H,11-14,16H2,1-2H3,(H2,27,32)(H,28,33);3-11,16,22H,12-15,17H2,1-2H3,(H2,27,32)(H,28,33);2-9,11,15H,10H2,1H3,(H2,25,31)(H,27,32)
• InChIKey: ZKIMKAUKBWXZCL-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 628.61 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 57
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2463.71
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide (CID 162144268) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is CCN(CC)Cc1ccc(Oc2ccc(-n3nc(C)cc3C(=O)NC(Cc3ccccc3)C(=O)C(N)=O)cc2)cc1.COCCOCCOc1ccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)cc1.COCCOCCOc1cccc(-n2nc(C)cc2C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)c1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(C(F)(F)F)cn2)n1.Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)n(-c2ccc(CN3CCOCC3)cc2)n1.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?

The InChIKey is ZKIMKAUKBWXZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4.C26H29N5O4.2C26H30N4O6.C21H18F3N5O3/c1-4-36(5-2)21-24-11-15-26(16-12-24)41-27-17-13-25(14-18-27)37-29(19-22(3)35-37)32(40)34-28(30(38)31(33)39)20-23-9-7-6-8-10-23;1-18-15-23(26(34)28-22(24(32)25(27)33)16-19-5-3-2-4-6-19)31(29-18)21-9-7-20(8-10-21)17-30-11-13-35-14-12-30;1-18-15-23(26(33)28-22(24(31)25(27)32)16-19-7-4-3-5-8-19)30(29-18)20-9-6-10-21(17-20)36-14-13-35-12-11-34-2;1-18-16-23(26(33)28-22(24(31)25(27)32)17-19-6-4-3-5-7-19)30(29-18)20-8-10-21(11-9-20)36-15-14-35-13-12-34-2;1-12-9-16(29(28-12)17-8-7-14(11-26-17)21(22,23)24)20(32)27-15(18(30)19(25)31)10-13-5-3-2-4-6-13/h6-19,28H,4-5,20-21H2,1-3H3,(H2,33,39)(H,34,40);2-10,15,22H,11-14,16-17H2,1H3,(H2,27,33)(H,28,34);3-10,15,17,22H,11-14,16H2,1-2H3,(H2,27,32)(H,28,33);3-11,16,22H,12-15,17H2,1-2H3,(H2,27,32)(H,28,33);2-9,11,15H,10H2,1H3,(H2,25,31)(H,27,32).

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 2463.71 g/mol, XLogP of 10.84, 57 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[4-(diethylaminomethyl)phenoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-5-methylpyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 162144268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).