N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide

C104H108N20O15 — CID 165072732

About N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide

N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide (PubChem CID 165072732) has the molecular formula C104H108N20O15 and a molecular weight of 1878.13 g/mol. Its IUPAC name is N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
• PubChem CID: 165072732
• Molecular Formula: C104H108N20O15
• Molecular Weight: 1878.13 g/mol
• Exact Mass: 1876.83
• IUPAC Name: N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
• SMILES: CCC(C)C(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.CCC(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.Cc1cc(C)cc(CC(NC(=O)c2cn(C)nc2-c2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NCc2ncco2)c(-c2ccccc2)n1.O=CC(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1
• InChI: InChI=1S/C25H23N5O4.C23H24N4O3.C22H21N3O2.C18H22N4O3.C16H18N4O3/c1-30-16-19(22(29-30)18-10-6-3-7-11-18)24(32)28-20(14-17-8-4-2-5-9-17)23(31)25(33)27-15-21-26-12-13-34-21;1-14-9-15(2)11-16(10-14)12-19(21(28)22(24)29)25-23(30)18-13-27(3)26-20(18)17-7-5-4-6-8-17;26-15-18(13-16-7-3-1-4-8-16)23-22(27)20-14-25(19-11-12-19)24-21(20)17-9-5-2-6-10-17;1-4-11(2)14(16(23)17(19)24)20-18(25)13-10-22(3)21-15(13)12-8-6-5-7-9-12;1-3-12(14(21)15(17)22)18-16(23)11-9-20(2)19-13(11)10-7-5-4-6-8-10/h2-13,16,20H,14-15H2,1H3,(H,27,33)(H,28,32);4-11,13,19H,12H2,1-3H3,(H2,24,29)(H,25,30);1-10,14-15,18-19H,11-13H2,(H,23,27);5-11,14H,4H2,1-3H3,(H2,19,24)(H,20,25);4-9,12H,3H2,1-2H3,(H2,17,22)(H,18,23)
• InChIKey: TUNBKINBIXZANK-UHFFFAOYSA-N
• XLogP: 9.76
• TPSA: 504.35 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1878.13
LogP ≤ 5	9.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide?

The IUPAC name of N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide (CID 165072732) is N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide.

What is the SMILES notation for N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide?

The canonical SMILES for N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide is CCC(C)C(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.CCC(NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)C(N)=O.Cc1cc(C)cc(CC(NC(=O)c2cn(C)nc2-c2ccccc2)C(=O)C(N)=O)c1.Cn1cc(C(=O)NC(Cc2ccccc2)C(=O)C(=O)NCc2ncco2)c(-c2ccccc2)n1.O=CC(Cc1ccccc1)NC(=O)c1cn(C2CC2)nc1-c1ccccc1.

What is the InChIKey of N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide?

The InChIKey is TUNBKINBIXZANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4.C23H24N4O3.C22H21N3O2.C18H22N4O3.C16H18N4O3/c1-30-16-19(22(29-30)18-10-6-3-7-11-18)24(32)28-20(14-17-8-4-2-5-9-17)23(31)25(33)27-15-21-26-12-13-34-21;1-14-9-15(2)11-16(10-14)12-19(21(28)22(24)29)25-23(30)18-13-27(3)26-20(18)17-7-5-4-6-8-17;26-15-18(13-16-7-3-1-4-8-16)23-22(27)20-14-25(19-11-12-19)24-21(20)17-9-5-2-6-10-17;1-4-11(2)14(16(23)17(19)24)20-18(25)13-10-22(3)21-15(13)12-8-6-5-7-9-12;1-3-12(14(21)15(17)22)18-16(23)11-9-20(2)19-13(11)10-7-5-4-6-8-10/h2-13,16,20H,14-15H2,1H3,(H,27,33)(H,28,32);4-11,13,19H,12H2,1-3H3,(H2,24,29)(H,25,30);1-10,14-15,18-19H,11-13H2,(H,23,27);5-11,14H,4H2,1-3H3,(H2,19,24)(H,20,25);4-9,12H,3H2,1-2H3,(H2,17,22)(H,18,23).

What are the key properties of N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide?

N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 1878.13 g/mol, XLogP of 9.76, 36 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-1-(3,5-dimethylphenyl)-3,4-dioxobutan-2-yl]-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-1,2-dioxopentan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(1-amino-4-methyl-1,2-dioxohexan-3-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;1-cyclopropyl-N-(1-oxo-3-phenylpropan-2-yl)-3-phenylpyrazole-4-carboxamide;1-methyl-N-[4-(1,3-oxazol-2-ylmethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 165072732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).