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

C40H38CoN6O8 — CID 170524713

IUPACcobalt;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
SMILESCOc1ccc(-n2nc(C)c(/C=N\c3c(C)cccc3C(=O)O)c2O)cc1.Cc1cccc(C(=O)O)c1/N=C/c1c(C)nn(-c2ccc(CO)cc2)c1O.[Co]
InChIInChI=1S/2C20H19N3O4.Co/c1-12-5-4-6-16(20(25)26)18(12)21-11-17-13(2)22-23(19(17)24)14-7-9-15(27-3)10-8-14;1-12-4-3-5-16(20(26)27)18(12)21-10-17-13(2)22-23(19(17)25)15-8-6-14(11-24)7-9-15;/h4-11,24H,1-3H3,(H,25,26);3-10,24-25H,11H2,1-2H3,(H,26,27);/b21-11-;21-10+;
InChIKeyOZYDWXCIIBZSNI-PYQZHTACSA-N
MW789.71 g/mol
LogP6.79
Rot. Bonds10

About 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

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 (PubChem CID 170524713) has the molecular formula C40H38CoN6O8 and a molecular weight of 789.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecobalt;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
PubChem CID170524713
Molecular FormulaC40H38CoN6O8
Molecular Weight789.71 g/mol
Exact Mass789.21
IUPAC Namecobalt;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
SMILESCOc1ccc(-n2nc(C)c(/C=N\c3c(C)cccc3C(=O)O)c2O)cc1.Cc1cccc(C(=O)O)c1/N=C/c1c(C)nn(-c2ccc(CO)cc2)c1O.[Co]
InChIInChI=1S/2C20H19N3O4.Co/c1-12-5-4-6-16(20(25)26)18(12)21-11-17-13(2)22-23(19(17)24)14-7-9-15(27-3)10-8-14;1-12-4-3-5-16(20(26)27)18(12)21-10-17-13(2)22-23(19(17)25)15-8-6-14(11-24)7-9-15;/h4-11,24H,1-3H3,(H,25,26);3-10,24-25H,11H2,1-2H3,(H,26,27);/b21-11-;21-10+;
InChIKeyOZYDWXCIIBZSNI-PYQZHTACSA-N
XLogP6.79
TPSA204.88 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500789.71
LogP ≤ 56.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 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 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;bis(2-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3,5-dimethylbenzoic acid)
CID 170524981
cobalt;2-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3,5-dimethylbenzoic acid;2-[(5-methanidyl-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3,5-dimethylbenzoic acid
CID 170525047
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
3-chloro-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]benzoic acid
CID 170524797
cobalt;bis(2-[[5-hydroxy-1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzoic acid)
CID 170524656
N-[(Z)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-4-methoxybenzamide
CID 6200239
4-methoxy-N-[(Z)-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 5452451
2-[[1-(4-tert-butylphenyl)-5-hydroxy-3-methoxycarbonylpyrazol-4-yl]methylideneamino]-5-nitrobenzoic acid;2-[[1-(4-tert-butylphenyl)-5-hydroxy-3-methylpyrazol-4-yl]methylideneamino]-5-nitrobenzoic acid;chromium
CID 170524765
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
CID 65446393
5-chloro-2-[[2-[4-(hydroxymethyl)phenyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]-3-methylbenzoic acid
CID 170525153
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 78781676
5-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carbaldehyde
CID 156773816

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-n2nc(C)c(/C=N\c3c(C)cccc3C(=O)O)c2O)cc1.Cc1cccc(C(=O)O)c1/N=C/c1c(C)nn(-c2ccc(CO)cc2)c1O.[Co].
What is the InChIKey of 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?
The InChIKey is OZYDWXCIIBZSNI-PYQZHTACSA-N. The full InChI is InChI=1S/2C20H19N3O4.Co/c1-12-5-4-6-16(20(25)26)18(12)21-11-17-13(2)22-23(19(17)24)14-7-9-15(27-3)10-8-14;1-12-4-3-5-16(20(26)27)18(12)21-10-17-13(2)22-23(19(17)25)15-8-6-14(11-24)7-9-15;/h4-11,24H,1-3H3,(H,25,26);3-10,24-25H,11H2,1-2H3,(H,26,27);/b21-11-;21-10+;.
What are the key properties of 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?
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 has a molecular weight of 789.71 g/mol, XLogP of 6.79, 10 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170524713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).