N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C74H76B2Cl6F7IN12O17 — CID 158110724

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 158110724) has the molecular formula C74H76B2Cl6F7IN12O17 and a molecular weight of 1900.73 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• PubChem CID: 158110724
• Molecular Formula: C74H76B2Cl6F7IN12O17
• Molecular Weight: 1900.73 g/mol
• Exact Mass: 1897.28
• IUPAC Name: N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(c2cc(Cl)oc2Cl)OC1(C)C.CC1(C)OB(c2ccoc2)OC1(C)C.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cc(Cl)oc1Cl.NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cc(Cl)oc1Cl.NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1I.[2H]CF
• InChI: InChI=1S/C19H16Cl2F2N4O4.C19H14Cl2F2N4O4.C15H15F2IN4O3.C10H13BCl2O3.C10H15BO3.CH3F/c2*20-13-7-10(16(21)31-13)14-11(8-27(26-14)19(22)23)18(30)25-12(15(28)17(24)29)6-9-4-2-1-3-5-9;16-15(17)22-7-9(12(18)21-22)14(25)20-10(11(23)13(19)24)6-8-4-2-1-3-5-8;1-9(2)10(3,4)16-11(15-9)6-5-7(12)14-8(6)13;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-2/h1-5,7-8,12,15,19,28H,6H2,(H2,24,29)(H,25,30);1-5,7-8,12,19H,6H2,(H2,24,29)(H,25,30);1-5,7,10-11,15,23H,6H2,(H2,19,24)(H,20,25);5H,1-4H3;5-7H,1-4H3;1H3/i;;;;;1D
• InChIKey: FQJZFHKYJPIDLK-WTMQMJMGSA-N
• XLogP: 12.39
• TPSA: 417.04 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1900.73
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 158110724) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2cc(Cl)oc2Cl)OC1(C)C.CC1(C)OB(c2ccoc2)OC1(C)C.NC(=O)C(=O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cc(Cl)oc1Cl.NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1-c1cc(Cl)oc1Cl.NC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cn(C(F)F)nc1I.[2H]CF.

What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

The InChIKey is FQJZFHKYJPIDLK-WTMQMJMGSA-N. The full InChI is InChI=1S/C19H16Cl2F2N4O4.C19H14Cl2F2N4O4.C15H15F2IN4O3.C10H13BCl2O3.C10H15BO3.CH3F/c2*20-13-7-10(16(21)31-13)14-11(8-27(26-14)19(22)23)18(30)25-12(15(28)17(24)29)6-9-4-2-1-3-5-9;16-15(17)22-7-9(12(18)21-22)14(25)20-10(11(23)13(19)24)6-8-4-2-1-3-5-8;1-9(2)10(3,4)16-11(15-9)6-5-7(12)14-8(6)13;1-9(2)10(3,4)14-11(13-9)8-5-6-12-7-8;1-2/h1-5,7-8,12,15,19,28H,6H2,(H2,24,29)(H,25,30);1-5,7-8,12,19H,6H2,(H2,24,29)(H,25,30);1-5,7,10-11,15,23H,6H2,(H2,19,24)(H,20,25);5H,1-4H3;5-7H,1-4H3;1H3/i;;;;;1D.

What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 1900.73 g/mol, XLogP of 12.39, 25 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(2,5-dichlorofuran-3-yl)-1-(difluoromethyl)pyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-(difluoromethyl)-3-iodopyrazole-4-carboxamide;deuterio(fluoro)methane;2-(2,5-dichlorofuran-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-(furan-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158110724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).