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

C155H185Cl4MgN23O26S6Si2-2 — CID 157216383

IUPACmagnesium;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
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccc(S(C)(=O)=O)cc3)c2)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.NCC1CC1.NCCNCCN.Nc1cccc(C(O)c2ccc(CS(=O)[O-])cc2)c1.O=Cc1ccc(CS(=O)[O-])cc1.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3ccc(S(C)(=O)=O)cc3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3ccc(S(C)(=O)=O)cc3)c2)c1.[Cl-].[Mg+2]
InChIInChI=1S/C35H41N5O5S.C30H29N5O3S.C26H22N4O4S.C14H15NO3S.C12H9N3O2.C12H22NSi2.C10H18O5.C8H8O3S.C4H13N3.C4H9N.Cl2OS.2ClH.Mg/c1-23-18-31(40(39-23)29-11-6-8-25(19-29)22-37-34(42)45-35(2,3)4)33(41)38-28-10-7-9-27(20-28)32(36-21-24-12-13-24)26-14-16-30(17-15-26)46(5,43)44;1-20-16-28(35(34-20)26-9-5-7-24(18-26)31-2)30(36)33-25-8-4-6-23(17-25)29(32-19-21-10-11-21)22-12-14-27(15-13-22)39(3,37)38;1-17-14-24(30(29-17)22-9-5-7-20(16-22)27-2)26(32)28-21-8-4-6-19(15-21)25(31)18-10-12-23(13-11-18)35(3,33)34;15-13-3-1-2-12(8-13)14(16)11-6-4-10(5-7-11)9-19(17)18;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;9-5-7-1-3-8(4-2-7)6-12(10)11;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;;/h6-11,14-20,24,32,36H,12-13,21-22H2,1-5H3,(H,37,42)(H,38,41);4-9,12-18,21,29,32H,10-11,19H2,1,3H3,(H,33,36);4-16,25,31H,1,3H3,(H,28,32);1-8,14,16H,9,15H2,(H,17,18);2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;1-5H,6H2,(H,10,11);7H,1-6H2;4H,1-3,5H2;;2*1H;/q;;;;;-1;;;;;;;;+2/p-3
InChIKeyOWIHYMKEJZQZJQ-UHFFFAOYSA-K
MW3201.01 g/mol
LogP24.03
Rot. Bonds43

About 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

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 (PubChem CID 157216383) has the molecular formula C155H185Cl4MgN23O26S6Si2-2 and a molecular weight of 3201.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemagnesium;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
PubChem CID157216383
Molecular FormulaC155H185Cl4MgN23O26S6Si2-2
Molecular Weight3201.01 g/mol
Exact Mass3196.03
IUPAC Namemagnesium;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
SMILESCC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccc(S(C)(=O)=O)cc3)c2)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.NCC1CC1.NCCNCCN.Nc1cccc(C(O)c2ccc(CS(=O)[O-])cc2)c1.O=Cc1ccc(CS(=O)[O-])cc1.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3ccc(S(C)(=O)=O)cc3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3ccc(S(C)(=O)=O)cc3)c2)c1.[Cl-].[Mg+2]
InChIInChI=1S/C35H41N5O5S.C30H29N5O3S.C26H22N4O4S.C14H15NO3S.C12H9N3O2.C12H22NSi2.C10H18O5.C8H8O3S.C4H13N3.C4H9N.Cl2OS.2ClH.Mg/c1-23-18-31(40(39-23)29-11-6-8-25(19-29)22-37-34(42)45-35(2,3)4)33(41)38-28-10-7-9-27(20-28)32(36-21-24-12-13-24)26-14-16-30(17-15-26)46(5,43)44;1-20-16-28(35(34-20)26-9-5-7-24(18-26)31-2)30(36)33-25-8-4-6-23(17-25)29(32-19-21-10-11-21)22-12-14-27(15-13-22)39(3,37)38;1-17-14-24(30(29-17)22-9-5-7-20(16-22)27-2)26(32)28-21-8-4-6-19(15-21)25(31)18-10-12-23(13-11-18)35(3,33)34;15-13-3-1-2-12(8-13)14(16)11-6-4-10(5-7-11)9-19(17)18;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;9-5-7-1-3-8(4-2-7)6-12(10)11;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;;/h6-11,14-20,24,32,36H,12-13,21-22H2,1-5H3,(H,37,42)(H,38,41);4-9,12-18,21,29,32H,10-11,19H2,1,3H3,(H,33,36);4-16,25,31H,1,3H3,(H,28,32);1-8,14,16H,9,15H2,(H,17,18);2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;1-5H,6H2,(H,10,11);7H,1-6H2;4H,1-3,5H2;;2*1H;/q;;;;;-1;;;;;;;;+2/p-3
InChIKeyOWIHYMKEJZQZJQ-UHFFFAOYSA-K
XLogP24.03
TPSA729.24 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds43
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003201.01
LogP ≤ 524.03
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

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;[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 with MolForge

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Related Compounds

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
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
CID 160578652
CID 160578652
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;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;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
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
CID 161304596
CID 161304596
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
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
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;[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.C[Si](C)(C)N(c1c[c-]ccc1)[Si](C)(C)C.Cc1cc(C(=O)Nc2cccc(C(NCC3CC3)c3ccc(S(C)(=O)=O)cc3)c2)n(-c2cccc(CNC(=O)OC(C)(C)C)c2)n1.Cc1cc(C(=O)O)n(-c2cccc(C#N)c2)n1.Cl.NCC1CC1.NCCNCCN.Nc1cccc(C(O)c2ccc(CS(=O)[O-])cc2)c1.O=Cc1ccc(CS(=O)[O-])cc1.O=S(Cl)Cl.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(NCC3CC3)c3ccc(S(C)(=O)=O)cc3)c2)c1.[C-]#[N+]c1cccc(-n2nc(C)cc2C(=O)Nc2cccc(C(O)c3ccc(S(C)(=O)=O)cc3)c2)c1.[Cl-].[Mg+2].
What is the InChIKey of 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?
The InChIKey is OWIHYMKEJZQZJQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C35H41N5O5S.C30H29N5O3S.C26H22N4O4S.C14H15NO3S.C12H9N3O2.C12H22NSi2.C10H18O5.C8H8O3S.C4H13N3.C4H9N.Cl2OS.2ClH.Mg/c1-23-18-31(40(39-23)29-11-6-8-25(19-29)22-37-34(42)45-35(2,3)4)33(41)38-28-10-7-9-27(20-28)32(36-21-24-12-13-24)26-14-16-30(17-15-26)46(5,43)44;1-20-16-28(35(34-20)26-9-5-7-24(18-26)31-2)30(36)33-25-8-4-6-23(17-25)29(32-19-21-10-11-21)22-12-14-27(15-13-22)39(3,37)38;1-17-14-24(30(29-17)22-9-5-7-20(16-22)27-2)26(32)28-21-8-4-6-19(15-21)25(31)18-10-12-23(13-11-18)35(3,33)34;15-13-3-1-2-12(8-13)14(16)11-6-4-10(5-7-11)9-19(17)18;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;9-5-7-1-3-8(4-2-7)6-12(10)11;5-1-3-7-4-2-6;5-3-4-1-2-4;1-4(2)3;;;/h6-11,14-20,24,32,36H,12-13,21-22H2,1-5H3,(H,37,42)(H,38,41);4-9,12-18,21,29,32H,10-11,19H2,1,3H3,(H,33,36);4-16,25,31H,1,3H3,(H,28,32);1-8,14,16H,9,15H2,(H,17,18);2-6H,1H3,(H,16,17);7-8,10-11H,1-6H3;1-6H3;1-5H,6H2,(H,10,11);7H,1-6H2;4H,1-3,5H2;;2*1H;/q;;;;;-1;;;;;;;;+2/p-3.
What are the key properties of 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?
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 has a molecular weight of 3201.01 g/mol, XLogP of 24.03, 43 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157216383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).