cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol

C50H46CoN6O8 — CID 170525082

IUPACcobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol
SMILESCOc1cc(CO)ccc1-c1ccc(/N=C\c2c(C)nn(-c3ccccc3)c2O)c(O)c1.COc1ccc(-c2ccc(/N=C\c3c(C)nn(-c4ccccc4)c3O)c(O)c2)c(OC)c1.[Co]
InChIInChI=1S/2C25H23N3O4.Co/c1-16-21(25(30)28(27-16)18-7-5-4-6-8-18)15-26-22-12-9-17(13-23(22)29)20-11-10-19(31-2)14-24(20)32-3;1-16-21(25(31)28(27-16)19-6-4-3-5-7-19)14-26-22-11-9-18(13-23(22)30)20-10-8-17(15-29)12-24(20)32-2;/h4-15,29-30H,1-3H3;3-14,29-31H,15H2,1-2H3;/b26-15-;26-14-;
InChIKeyXOXBBZIZJXGBDQ-LQLZNKIRSA-N
MW917.89 g/mol
LogP9.53
Rot. Bonds12

About cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol

cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol (PubChem CID 170525082) has the molecular formula C50H46CoN6O8 and a molecular weight of 917.89 g/mol. Its IUPAC name is cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol.

Molecular Properties

Compound Namecobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol
PubChem CID170525082
Molecular FormulaC50H46CoN6O8
Molecular Weight917.89 g/mol
Exact Mass917.27
IUPAC Namecobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol
SMILESCOc1cc(CO)ccc1-c1ccc(/N=C\c2c(C)nn(-c3ccccc3)c2O)c(O)c1.COc1ccc(-c2ccc(/N=C\c3c(C)nn(-c4ccccc4)c3O)c(O)c2)c(OC)c1.[Co]
InChIInChI=1S/2C25H23N3O4.Co/c1-16-21(25(30)28(27-16)18-7-5-4-6-8-18)15-26-22-12-9-17(13-23(22)29)20-11-10-19(31-2)14-24(20)32-3;1-16-21(25(31)28(27-16)19-6-4-3-5-7-19)14-26-22-11-9-18(13-23(22)30)20-10-8-17(15-29)12-24(20)32-2;/h4-15,29-30H,1-3H3;3-14,29-31H,15H2,1-2H3;/b26-15-;26-14-;
InChIKeyXOXBBZIZJXGBDQ-LQLZNKIRSA-N
XLogP9.53
TPSA189.20 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500917.89
LogP ≤ 59.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_pyrazole_OH(14)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cobalt;2-[[5-hydroxy-1-[4-(hydroxymethyl)phenyl]-3-methylpyrazol-4-yl]methylideneamino]-3-methylbenzoic acid;2-[[5-hydroxy-1-(4-methoxyphenyl)-3-methylpyrazol-4-yl]methylideneamino]-3-methylbenzoic acid
CID 170524713
cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)
CID 170525159
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
cobalt;bis(2-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3,5-dimethylbenzoic acid)
CID 170524981
4-[(2,4-dimethoxyphenyl)iminomethyl]-3-hydroxy-2-(4-methoxyphenyl)isoquinolin-1-one
CID 135874190
5-methoxy-2-(5-methyl-2-phenyl-1,2,4-triazol-3-yl)phenol
CID 135966284
[3-butoxy-4-(3-methoxyphenyl)phenyl]methanol
CID 58380155
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 156773816
[4-[3-(4-methoxyphenyl)benzo[g]quinoxalin-2-yl]phenyl]methanol
CID 162475875
cobalt;bis(2-[[5-hydroxy-1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzoic acid)
CID 170524656
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 17376527
2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]acetamide
CID 5442045

Frequently Asked Questions

What is the IUPAC name of cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
The IUPAC name of cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol (CID 170525082) is cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol.
What is the SMILES notation for cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
The canonical SMILES for cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol is COc1cc(CO)ccc1-c1ccc(/N=C\c2c(C)nn(-c3ccccc3)c2O)c(O)c1.COc1ccc(-c2ccc(/N=C\c3c(C)nn(-c4ccccc4)c3O)c(O)c2)c(OC)c1.[Co].
What is the InChIKey of cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
The InChIKey is XOXBBZIZJXGBDQ-LQLZNKIRSA-N. The full InChI is InChI=1S/2C25H23N3O4.Co/c1-16-21(25(30)28(27-16)18-7-5-4-6-8-18)15-26-22-12-9-17(13-23(22)29)20-11-10-19(31-2)14-24(20)32-3;1-16-21(25(31)28(27-16)19-6-4-3-5-7-19)14-26-22-11-9-18(13-23(22)30)20-10-8-17(15-29)12-24(20)32-2;/h4-15,29-30H,1-3H3;3-14,29-31H,15H2,1-2H3;/b26-15-;26-14-;.
What are the key properties of cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol has a molecular weight of 917.89 g/mol, XLogP of 9.53, 12 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;4-[[4-(2,4-dimethoxyphenyl)-2-hydroxyphenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol;4-[[2-hydroxy-4-[4-(hydroxymethyl)-2-methoxyphenyl]phenyl]iminomethyl]-3-methyl-1-phenylpyrazol-5-ol is sourced from PubChem (CID 170525082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).