magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride

C97H132Br7ClMgN10O16 — CID 158633338

About magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride

magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride (PubChem CID 158633338) has the molecular formula C97H132Br7ClMgN10O16 and a molecular weight of 2313.26 g/mol. Its IUPAC name is magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride.

Molecular Properties

• Compound Name: magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride
• PubChem CID: 158633338
• Molecular Formula: C97H132Br7ClMgN10O16
• Molecular Weight: 2313.26 g/mol
• Exact Mass: 2304.36
• IUPAC Name: magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride
• SMILES: C.C.CC(=O)c1ccc(Br)cc1.CC(C)CNN.CC(C)Cn1nc(C(C)(C)O)cc1-c1ccc(Br)cc1.CCOC(=O)C(=O)CC(=O)c1ccc(Br)cc1.CCOC(=O)C(C)=O.CCOC(=O)c1cc(-c2ccc(Br)cc2)n(CC(C)C)n1.CCOC(=O)c1cc(-c2ccc(Br)cc2)n(CC(C)C)n1.CCOC(=O)c1cc(-c2ccc(Br)cc2)nn1CC(C)C.CO.Cl.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/3C16H19BrN2O2.C16H21BrN2O.C12H11BrO4.C8H7BrO.C5H8O3.C4H12N2.CH4O.2CH4.CH3.BrH.ClH.Mg/c2*1-4-21-16(20)14-9-15(19(18-14)10-11(2)3)12-5-7-13(17)8-6-12;1-4-21-16(20)15-9-14(18-19(15)10-11(2)3)12-5-7-13(17)8-6-12;1-11(2)10-19-14(9-15(18-19)16(3,4)20)12-5-7-13(17)8-6-12;1-2-17-12(16)11(15)7-10(14)8-3-5-9(13)6-4-8;1-6(10)7-2-4-8(9)5-3-7;1-3-8-5(7)4(2)6;1-4(2)3-6-5;1-2;;;;;;/h3*5-9,11H,4,10H2,1-3H3;5-9,11,20H,10H2,1-4H3;3-6H,2,7H2,1H3;2-5H,1H3;3H2,1-2H3;4,6H,3,5H2,1-2H3;2H,1H3;2*1H4;1H3;2*1H;/q;;;;;;;;;;;-1;;;+2/p-1
• InChIKey: LGGISRGQYMYTGO-UHFFFAOYSA-M
• XLogP: 20.06
• TPSA: 349.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2313.26
LogP ≤ 5	20.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride?

The IUPAC name of magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride (CID 158633338) is magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride.

What is the SMILES notation for magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride?

The canonical SMILES for magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride is C.C.CC(=O)c1ccc(Br)cc1.CC(C)CNN.CC(C)Cn1nc(C(C)(C)O)cc1-c1ccc(Br)cc1.CCOC(=O)C(=O)CC(=O)c1ccc(Br)cc1.CCOC(=O)C(C)=O.CCOC(=O)c1cc(-c2ccc(Br)cc2)n(CC(C)C)n1.CCOC(=O)c1cc(-c2ccc(Br)cc2)n(CC(C)C)n1.CCOC(=O)c1cc(-c2ccc(Br)cc2)nn1CC(C)C.CO.Cl.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride?

The InChIKey is LGGISRGQYMYTGO-UHFFFAOYSA-M. The full InChI is InChI=1S/3C16H19BrN2O2.C16H21BrN2O.C12H11BrO4.C8H7BrO.C5H8O3.C4H12N2.CH4O.2CH4.CH3.BrH.ClH.Mg/c2*1-4-21-16(20)14-9-15(19(18-14)10-11(2)3)12-5-7-13(17)8-6-12;1-4-21-16(20)15-9-14(18-19(15)10-11(2)3)12-5-7-13(17)8-6-12;1-11(2)10-19-14(9-15(18-19)16(3,4)20)12-5-7-13(17)8-6-12;1-2-17-12(16)11(15)7-10(14)8-3-5-9(13)6-4-8;1-6(10)7-2-4-8(9)5-3-7;1-3-8-5(7)4(2)6;1-4(2)3-6-5;1-2;;;;;;/h3*5-9,11H,4,10H2,1-3H3;5-9,11,20H,10H2,1-4H3;3-6H,2,7H2,1H3;2-5H,1H3;3H2,1-2H3;4,6H,3,5H2,1-2H3;2H,1H3;2*1H4;1H3;2*1H;/q;;;;;;;;;;;-1;;;+2/p-1.

What are the key properties of magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride?

magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride has a molecular weight of 2313.26 g/mol, XLogP of 20.06, 29 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;1-(4-bromophenyl)ethanone;2-[5-(4-bromophenyl)-1-(2-methylpropyl)pyrazol-3-yl]propan-2-ol;carbanide;ethyl 4-(4-bromophenyl)-2,4-dioxobutanoate;ethyl 3-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-5-carboxylate;bis(ethyl 5-(4-bromophenyl)-1-(2-methylpropyl)pyrazole-3-carboxylate);ethyl 2-oxopropanoate;methane;methanol;2-methylpropylhydrazine;bromide;hydrochloride is sourced from PubChem (CID 158633338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).