magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride

C185H220Cl4MgN28O23SSi2 — CID 159138302

IUPACmagnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1.COc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CNC(=O)OC(C)(C)C)c3)c2)c1.COc1cccc(C(O)c2cccc(N)c2)c1.COc1cccc(C=O)c1.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.NCC1CC1.NCCNCCN.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3cccc(OC)c3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3cccc(OC)c3)c2)c1.[Cl-].[Mg+2]
InChIInChI=1S/C35H41N5O4.C30H29N5O2.C30H33N5O2.C26H22N4O3.C14H15NO2.C12H9N3O2.C12H22NSi2.C10H18O5.C8H8O2.C4H13N3.C4H9N.Cl2OS.2ClH.Mg/c1-23-17-31(40(39-23)29-13-6-9-25(18-29)22-37-34(42)44-35(2,3)4)33(41)38-28-12-7-10-26(19-28)32(36-21-24-15-16-24)27-11-8-14-30(20-27)43-5;1-20-15-28(35(34-20)26-11-6-9-24(18-26)31-2)30(36)33-25-10-4-7-22(16-25)29(32-19-21-13-14-21)23-8-5-12-27(17-23)37-3;1-20-14-28(35(34-20)26-10-3-6-22(15-26)18-31)30(36)33-25-9-4-7-23(16-25)29(32-19-21-12-13-21)24-8-5-11-27(17-24)37-2;1-17-13-24(30(29-17)22-11-6-9-20(16-22)27-2)26(32)28-21-10-4-7-18(14-21)25(31)19-8-5-12-23(15-19)33-3;1-17-13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10;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;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-10-8-4-2-3-7(5-8)6-9;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;;/h6-14,17-20,24,32,36H,15-16,21-22H2,1-5H3,(H,37,42)(H,38,41);4-12,15-18,21,29,32H,13-14,19H2,1,3H3,(H,33,36);3-11,14-17,21,29,32H,12-13,18-19,31H2,1-2H3,(H,33,36);4-16,25,31H,1,3H3,(H,28,32);2-9,14,16H,15H2,1H3;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;2-6H,1H3;7H,1-6H2;4H,1-3,5H2;;2*1H;/q;;;;;;-1;;;;;;;;+2/p-1
InChIKeyKECNKOWEZQAKHT-UHFFFAOYSA-M
MW3458.32 g/mol
LogP32.09
Rot. Bonds51

About magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride

magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride (PubChem CID 159138302) has the molecular formula C185H220Cl4MgN28O23SSi2 and a molecular weight of 3458.32 g/mol. Its IUPAC name is magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride.

Molecular Properties

Compound Namemagnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride
PubChem CID159138302
Molecular FormulaC185H220Cl4MgN28O23SSi2
Molecular Weight3458.32 g/mol
Exact Mass3453.48
IUPAC Namemagnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1.COc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CNC(=O)OC(C)(C)C)c3)c2)c1.COc1cccc(C(O)c2cccc(N)c2)c1.COc1cccc(C=O)c1.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.NCC1CC1.NCCNCCN.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3cccc(OC)c3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3cccc(OC)c3)c2)c1.[Cl-].[Mg+2]
InChIInChI=1S/C35H41N5O4.C30H29N5O2.C30H33N5O2.C26H22N4O3.C14H15NO2.C12H9N3O2.C12H22NSi2.C10H18O5.C8H8O2.C4H13N3.C4H9N.Cl2OS.2ClH.Mg/c1-23-17-31(40(39-23)29-13-6-9-25(18-29)22-37-34(42)44-35(2,3)4)33(41)38-28-12-7-10-26(19-28)32(36-21-24-15-16-24)27-11-8-14-30(20-27)43-5;1-20-15-28(35(34-20)26-11-6-9-24(18-26)31-2)30(36)33-25-10-4-7-22(16-25)29(32-19-21-13-14-21)23-8-5-12-27(17-23)37-3;1-20-14-28(35(34-20)26-10-3-6-22(15-26)18-31)30(36)33-25-9-4-7-23(16-25)29(32-19-21-12-13-21)24-8-5-11-27(17-24)37-2;1-17-13-24(30(29-17)22-11-6-9-20(16-22)27-2)26(32)28-21-10-4-7-18(14-21)25(31)19-8-5-12-23(15-19)33-3;1-17-13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10;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;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-10-8-4-2-3-7(5-8)6-9;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;;/h6-14,17-20,24,32,36H,15-16,21-22H2,1-5H3,(H,37,42)(H,38,41);4-12,15-18,21,29,32H,13-14,19H2,1,3H3,(H,33,36);3-11,14-17,21,29,32H,12-13,18-19,31H2,1-2H3,(H,33,36);4-16,25,31H,1,3H3,(H,28,32);2-9,14,16H,15H2,1H3;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;2-6H,1H3;7H,1-6H2;4H,1-3,5H2;;2*1H;/q;;;;;;-1;;;;;;;;+2/p-1
InChIKeyKECNKOWEZQAKHT-UHFFFAOYSA-M
XLogP32.09
TPSA686.91 Ų
H-Bond Donors17
H-Bond Acceptors43
Rotatable Bonds51
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003458.32
LogP ≤ 532.09
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride with MolForge

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Related Compounds

magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(3-methylphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methylbenzaldehyde;thionyl dichloride;chloride
CID 162221336
magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;[4-[(3-aminophenyl)-hydroxymethyl]phenyl]methanesulfinate;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(4-methylsulfonylphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(4-methylsulfonylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;(4-formylphenyl)methanesulfinate;N-[3-[hydroxy-(4-methylsulfonylphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;thionyl dichloride;chloride;hydrochloride
CID 157216383
CID 160578652
CID 160578652
magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;1-[2-[3-(aminomethyl)phenyl]-5-methylpyrazol-3-yl]-2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]ethanone;(3-aminophenyl)-phenanthren-9-ylmethanol;N,N-bis(trimethylsilyl)aniline;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-[(cyclopropylmethylamino)-phenanthren-9-ylmethyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;2-[3-(3-cyclopropyl-1-phenanthren-9-ylpropyl)phenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy(phenanthren-9-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;phenanthrene-9-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride
CID 158259609
magnesium;(3-aminophenyl)-(3-bromo-4-phenylmethoxyphenyl)methanol;(3-aminophenyl)-(4-phenylmethoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;2-bromo-4-methoxy-1-phenylmethoxybenzene;N-[3-[(3-bromo-4-phenylmethoxyphenyl)-hydroxymethyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;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;thionyl dichloride;chloride
CID 160717077
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
magnesium;sodium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-aminophenyl)-(4-methoxynaphthalen-1-yl)methanol;N,N-bis(trimethylsilyl)aniline;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[5-[(cyclopropylmethylamino)-(4-methoxynaphthalen-1-yl)methyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(4-methoxynaphthalen-1-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;4-methoxynaphthalene-1-carbaldehyde;thionyl dichloride;chloride;hydroxide;dihydrochloride
CID 161228029
CID 161304596
CID 161304596
bis(N'-(2-aminoethyl)ethane-1,2-diamine);(3-aminophenyl)-(4-methoxyphenyl)methanol;anisole;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[3-[(cyclopropylmethylamino)-(4-methoxyphenyl)methyl]phenyl]-1-[2-(3-isocyanophenyl)-5-methylpyrazol-3-yl]ethanone;N-[3-[hydroxy-(4-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;(4-methoxyphenyl)-(3-nitrophenyl)methanone;3-nitrobenzoic acid;thionyl dichloride;trichloroalumane
CID 159602105
N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-(3-isocyanophenyl)methanol;N-[5-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[(3-cyanophenyl)-hydroxymethyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;methane;thionyl dichloride;hydrochloride
CID 158562701
magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;(3-amino-4-fluorophenyl)-pyridin-4-ylmethanol;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;2-[5-[(cyclopropylmethylamino)-pyridin-4-ylmethyl]-2-fluorophenyl]-1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]ethanone;dichloronickel;1-[2-(3-ethylphenyl)-5-methylpyrazol-3-yl]-2-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]ethanone;2-fluoro-N,N-bis(trimethylsilyl)benzene-5-id-1-amine;N-[2-fluoro-5-[hydroxy(pyridin-4-yl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;pyridine-4-carbaldehyde;thionyl dichloride;bromide;hydrochloride
CID 157436341
tert-butyl N-[[3-[5-[[3-[(3-cyanophenyl)-(cyclopropylmethylamino)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate
CID 126681686

Frequently Asked Questions

What is the IUPAC name of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride?
The IUPAC name of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride (CID 159138302) is magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride.
What is the SMILES notation for magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride?
The canonical SMILES for magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.COc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CN)c3)c2)c1.COc1cccc(C(NCC2CC2)c2cccc(NC(=O)c3cc(C)nn3-c3cccc(CNC(=O)OC(C)(C)C)c3)c2)c1.COc1cccc(C(O)c2cccc(N)c2)c1.COc1cccc(C=O)c1.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.NCC1CC1.NCCNCCN.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3cccc(OC)c3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3cccc(OC)c3)c2)c1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride?
The InChIKey is KECNKOWEZQAKHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H41N5O4.C30H29N5O2.C30H33N5O2.C26H22N4O3.C14H15NO2.C12H9N3O2.C12H22NSi2.C10H18O5.C8H8O2.C4H13N3.C4H9N.Cl2OS.2ClH.Mg/c1-23-17-31(40(39-23)29-13-6-9-25(18-29)22-37-34(42)44-35(2,3)4)33(41)38-28-12-7-10-26(19-28)32(36-21-24-15-16-24)27-11-8-14-30(20-27)43-5;1-20-15-28(35(34-20)26-11-6-9-24(18-26)31-2)30(36)33-25-10-4-7-22(16-25)29(32-19-21-13-14-21)23-8-5-12-27(17-23)37-3;1-20-14-28(35(34-20)26-10-3-6-22(15-26)18-31)30(36)33-25-9-4-7-23(16-25)29(32-19-21-12-13-21)24-8-5-11-27(17-24)37-2;1-17-13-24(30(29-17)22-11-6-9-20(16-22)27-2)26(32)28-21-10-4-7-18(14-21)25(31)19-8-5-12-23(15-19)33-3;1-17-13-7-3-5-11(9-13)14(16)10-4-2-6-12(15)8-10;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;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6;1-10-8-4-2-3-7(5-8)6-9;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;;/h6-14,17-20,24,32,36H,15-16,21-22H2,1-5H3,(H,37,42)(H,38,41);4-12,15-18,21,29,32H,13-14,19H2,1,3H3,(H,33,36);3-11,14-17,21,29,32H,12-13,18-19,31H2,1-2H3,(H,33,36);4-16,25,31H,1,3H3,(H,28,32);2-9,14,16H,15H2,1H3;2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;2-6H,1H3;7H,1-6H2;4H,1-3,5H2;;2*1H;/q;;;;;;-1;;;;;;;;+2/p-1.
What are the key properties of magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride?
magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride has a molecular weight of 3458.32 g/mol, XLogP of 32.09, 51 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N'-(2-aminoethyl)ethane-1,2-diamine;2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-5-methylpyrazole-3-carboxamide;(3-aminophenyl)-(3-methoxyphenyl)methanol;N,N-bis(trimethylsilyl)aniline;tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]carbamoyl]-3-methylpyrazol-1-yl]phenyl]methyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid;cyclopropylmethanamine;N-[3-[(cyclopropylmethylamino)-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[3-[hydroxy-(3-methoxyphenyl)methyl]phenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;3-methoxybenzaldehyde;thionyl dichloride;chloride;hydrochloride is sourced from PubChem (CID 159138302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).