magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride

C158H163Cl3MgN20O13SSi2 — CID 158479981

About magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride

magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride (PubChem CID 158479981) has the molecular formula C158H163Cl3MgN20O13SSi2 and a molecular weight of 2769.07 g/mol. Its IUPAC name is magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride.

Molecular Properties

• Compound Name: magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride
• PubChem CID: 158479981
• Molecular Formula: C158H163Cl3MgN20O13SSi2
• Molecular Weight: 2769.07 g/mol
• Exact Mass: 2765.09
• IUPAC Name: magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride
• SMILES: C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccc(OCc4ccccc4)cc3)c2)n(-c2cccc(C(=O)NCC3CC3)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cc1ccc(C(O)c2cccc(N)c2)cc1.Cc1ccc(C=O)cc1.NCC1CC1.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3ccc(OCc4ccccc4)cc3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3ccc(OCc4ccccc4)cc3)c2)c1.[Cl-].[Mg+2]
• InChI: InChI=1S/C40H41N5O3.C36H33N5O2.C32H26N4O3.C14H15NO.C12H9N3O2.C12H22NSi2.C8H8O.C4H9N.Cl2OS.ClH.Mg/c1-27-21-37(45(44-27)35-12-6-10-33(23-35)39(46)42-25-29-15-16-29)40(47)43-34-11-5-9-32(22-34)38(41-24-28-13-14-28)31-17-19-36(20-18-31)48-26-30-7-3-2-4-8-30;1-25-20-34(41(40-25)32-13-7-11-30(22-32)37-2)36(42)39-31-12-6-10-29(21-31)35(38-23-26-14-15-26)28-16-18-33(19-17-28)43-24-27-8-4-3-5-9-27;1-22-18-30(36(35-22)28-13-7-11-26(20-28)33-2)32(38)34-27-12-6-10-25(19-27)31(37)24-14-16-29(17-15-24)39-21-23-8-4-3-5-9-23;1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(15)9-12;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;1-7-2-4-8(6-9)5-3-7;5-3-4-1-2-4;1-4(2)3;;/h2-12,17-23,28-29,38,41H,13-16,24-26H2,1H3,(H,42,46)(H,43,47);3-13,16-22,26,35,38H,14-15,23-24H2,1H3,(H,39,42);3-20,31,37H,21H2,1H3,(H,34,38);2-9,14,16H,15H2,1H3;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;2-6H,1H3;4H,1-3,5H2;;1H;/q;;;;;-1;;;;;+2/p-1
• InChIKey: CDWWNIWSSKXMGN-UHFFFAOYSA-M
• XLogP: 29.74
• TPSA: 439.12 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 26
• Rotatable Bonds: 42
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2769.07
LogP ≤ 5	29.74
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride?

The IUPAC name of magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride (CID 158479981) is magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride.

What is the SMILES notation for magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride?

The canonical SMILES for magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride is C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccc(OCc4ccccc4)cc3)c2)n(-c2cccc(C(=O)NCC3CC3)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cc1ccc(C(O)c2cccc(N)c2)cc1.Cc1ccc(C=O)cc1.NCC1CC1.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3ccc(OCc4ccccc4)cc3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3ccc(OCc4ccccc4)cc3)c2)c1.[Cl-].[Mg+2].

What is the InChIKey of magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride?

The InChIKey is CDWWNIWSSKXMGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C40H41N5O3.C36H33N5O2.C32H26N4O3.C14H15NO.C12H9N3O2.C12H22NSi2.C8H8O.C4H9N.Cl2OS.ClH.Mg/c1-27-21-37(45(44-27)35-12-6-10-33(23-35)39(46)42-25-29-15-16-29)40(47)43-34-11-5-9-32(22-34)38(41-24-28-13-14-28)31-17-19-36(20-18-31)48-26-30-7-3-2-4-8-30;1-25-20-34(41(40-25)32-13-7-11-30(22-32)37-2)36(42)39-31-12-6-10-29(21-31)35(38-23-26-14-15-26)28-16-18-33(19-17-28)43-24-27-8-4-3-5-9-27;1-22-18-30(36(35-22)28-13-7-11-26(20-28)33-2)32(38)34-27-12-6-10-25(19-27)31(37)24-14-16-29(17-15-24)39-21-23-8-4-3-5-9-23;1-10-5-7-11(8-6-10)14(16)12-3-2-4-13(15)9-12;1-8-5-11(12(16)17)15(14-8)10-4-2-3-9(6-10)7-13;1-14(2,3)13(15(4,5)6)12-10-8-7-9-11-12;1-7-2-4-8(6-9)5-3-7;5-3-4-1-2-4;1-4(2)3;;/h2-12,17-23,28-29,38,41H,13-16,24-26H2,1H3,(H,42,46)(H,43,47);3-13,16-22,26,35,38H,14-15,23-24H2,1H3,(H,39,42);3-20,31,37H,21H2,1H3,(H,34,38);2-9,14,16H,15H2,1H3;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;2-6H,1H3;4H,1-3,5H2;;1H;/q;;;;;-1;;;;;+2/p-1.

What are the key properties of magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride?

magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride has a molecular weight of 2769.07 g/mol, XLogP of 29.74, 42 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;(3-aminophenyl)-(4-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-[3-(cyclopropylmethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide;N-[3-[(cyclopropylmethylamino)-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-phenylmethoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methylbenzaldehyde;thionyl dichloride;chloride is sourced from PubChem (CID 158479981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).