dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane

C66H65BBr3F15K2N16O9 — CID 162238909

About dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane

dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane (PubChem CID 162238909) has the molecular formula C66H65BBr3F15K2N16O9 and a molecular weight of 1840.04 g/mol. Its IUPAC name is dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
• PubChem CID: 162238909
• Molecular Formula: C66H65BBr3F15K2N16O9
• Molecular Weight: 1840.04 g/mol
• Exact Mass: 1836.18
• IUPAC Name: dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane
• SMILES: C=C(B1OC(C)(C)C(C)(C)O1)c1ccc(C(F)(F)F)cc1.C=C(c1ccc(C)cc1)c1nn(CC(F)(F)F)c2c(=O)[nH]c(C)nc12.Cc1ccc(C(C)c2nn(CC(F)(F)F)c3c(=O)[nH]c(C)nc23)cc1.Cc1nc2c(Br)[nH]nc2c(=O)[nH]1.Cc1nc2c(Br)nn(CC(F)(F)F)c2c(=O)[nH]1.FC(F)(F)CBr.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C17H17F3N4O.C17H15F3N4O.C15H18BF3O2.C8H6BrF3N4O.C6H5BrN4O.C2H2BrF3.CH2O3.2K.H/c2*1-9-4-6-12(7-5-9)10(2)13-14-15(16(25)22-11(3)21-14)24(23-13)8-17(18,19)20;1-10(16-20-13(2,3)14(4,5)21-16)11-6-8-12(9-7-11)15(17,18)19;1-3-13-4-5(7(17)14-3)16(15-6(4)9)2-8(10,11)12;1-2-8-3-4(6(12)9-2)10-11-5(3)7;3-1-2(4,5)6;2-1-4-3;;;/h4-7,10H,8H2,1-3H3,(H,21,22,25);4-7H,2,8H2,1,3H3,(H,21,22,25);6-9H,1H2,2-5H3;2H2,1H3,(H,13,14,17);1H3,(H,10,11)(H,8,9,12);1H2;1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: MFWQHGRCZWRQNZ-UHFFFAOYSA-M
• XLogP: 8.13
• TPSA: 332.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1840.04
LogP ≤ 5	8.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?

The IUPAC name of dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane (CID 162238909) is dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane.

What is the SMILES notation for dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?

The canonical SMILES for dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane is C=C(B1OC(C)(C)C(C)(C)O1)c1ccc(C(F)(F)F)cc1.C=C(c1ccc(C)cc1)c1nn(CC(F)(F)F)c2c(=O)[nH]c(C)nc12.Cc1ccc(C(C)c2nn(CC(F)(F)F)c3c(=O)[nH]c(C)nc23)cc1.Cc1nc2c(Br)[nH]nc2c(=O)[nH]1.Cc1nc2c(Br)nn(CC(F)(F)F)c2c(=O)[nH]1.FC(F)(F)CBr.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?

The InChIKey is MFWQHGRCZWRQNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H17F3N4O.C17H15F3N4O.C15H18BF3O2.C8H6BrF3N4O.C6H5BrN4O.C2H2BrF3.CH2O3.2K.H/c2*1-9-4-6-12(7-5-9)10(2)13-14-15(16(25)22-11(3)21-14)24(23-13)8-17(18,19)20;1-10(16-20-13(2,3)14(4,5)21-16)11-6-8-12(9-7-11)15(17,18)19;1-3-13-4-5(7(17)14-3)16(15-6(4)9)2-8(10,11)12;1-2-8-3-4(6(12)9-2)10-11-5(3)7;3-1-2(4,5)6;2-1-4-3;;;/h4-7,10H,8H2,1-3H3,(H,21,22,25);4-7H,2,8H2,1,3H3,(H,21,22,25);6-9H,1H2,2-5H3;2H2,1H3,(H,13,14,17);1H3,(H,10,11)(H,8,9,12);1H2;1,3H;;;/q;;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane?

dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane has a molecular weight of 1840.04 g/mol, XLogP of 8.13, 10 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;3-bromo-5-methyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one;3-bromo-5-methyl-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;2-bromo-1,1,1-trifluoroethane;hydride;5-methyl-3-[1-(4-methylphenyl)ethenyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;5-methyl-3-[1-(4-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one;oxido formate;4,4,5,5-tetramethyl-2-[1-[4-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane is sourced from PubChem (CID 162238909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).