cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)

C46H38CoN6O4 — CID 170525159

IUPACcobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)
SMILESCc1cccc(-n2nc(-c3ccccc3)c(/C=N\c3ccccc3O)c2O)c1.Cc1cccc(-n2nc(-c3ccccc3)c(/C=N\c3ccccc3O)c2O)c1.[Co]
InChIInChI=1S/2C23H19N3O2.Co/c2*1-16-8-7-11-18(14-16)26-23(28)19(15-24-20-12-5-6-13-21(20)27)22(25-26)17-9-3-2-4-10-17;/h2*2-15,27-28H,1H3;/b2*24-15-;
InChIKeyBOPRBUJLUVHIQO-OLRZRQAMSA-N
MW797.78 g/mol
LogP10.02
Rot. Bonds8

About cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)

cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol) (PubChem CID 170525159) has the molecular formula C46H38CoN6O4 and a molecular weight of 797.78 g/mol. Its IUPAC name is cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol).

Molecular Properties

Compound Namecobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)
PubChem CID170525159
Molecular FormulaC46H38CoN6O4
Molecular Weight797.78 g/mol
Exact Mass797.23
IUPAC Namecobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)
SMILESCc1cccc(-n2nc(-c3ccccc3)c(/C=N\c3ccccc3O)c2O)c1.Cc1cccc(-n2nc(-c3ccccc3)c(/C=N\c3ccccc3O)c2O)c1.[Co]
InChIInChI=1S/2C23H19N3O2.Co/c2*1-16-8-7-11-18(14-16)26-23(28)19(15-24-20-12-5-6-13-21(20)27)22(25-26)17-9-3-2-4-10-17;/h2*2-15,27-28H,1H3;/b2*24-15-;
InChIKeyBOPRBUJLUVHIQO-OLRZRQAMSA-N
XLogP10.02
TPSA141.28 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.78
LogP ≤ 510.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-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;bis(2-[(5-hydroxy-1,3-diphenylpyrazol-4-yl)methylideneamino]-6-methylbenzoic acid)
CID 170525040
cobalt;bis(2-[[5-hydroxy-1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]benzoic acid)
CID 170524656
2-[[3-(4-carboxyphenyl)-5-hydroxy-1-phenylpyrazol-4-yl]methylideneamino]benzoic acid;chromium;2-[[3-(4-formyloxyphenyl)-5-hydroxy-1-phenylpyrazol-4-yl]methylideneamino]benzoic acid
CID 170524902
cobalt;4-[(2-hydroxy-3,5-dinitrophenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol;4-[(2-hydroxyphenyl)iminomethyl]-3-nitro-1-phenylpyrazol-5-ol
CID 170525154
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
2-[(4-phenylphenyl)methylideneamino]phenol
CID 59227908
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
cobalt;bis(2-[(5-hydroxy-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-3,5-dimethylbenzoic acid)
CID 170524981
(NE)-N-[[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 25220563
N-[[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 57368886
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
2-[(1,3,4-triphenylpyrazol-5-yl)iminomethyl]phenol
CID 3313085

Frequently Asked Questions

What is the IUPAC name of cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)?
The IUPAC name of cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol) (CID 170525159) is cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol).
What is the SMILES notation for cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)?
The canonical SMILES for cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol) is Cc1cccc(-n2nc(-c3ccccc3)c(/C=N\c3ccccc3O)c2O)c1.Cc1cccc(-n2nc(-c3ccccc3)c(/C=N\c3ccccc3O)c2O)c1.[Co].
What is the InChIKey of cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)?
The InChIKey is BOPRBUJLUVHIQO-OLRZRQAMSA-N. The full InChI is InChI=1S/2C23H19N3O2.Co/c2*1-16-8-7-11-18(14-16)26-23(28)19(15-24-20-12-5-6-13-21(20)27)22(25-26)17-9-3-2-4-10-17;/h2*2-15,27-28H,1H3;/b2*24-15-;.
What are the key properties of cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol)?
cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol) has a molecular weight of 797.78 g/mol, XLogP of 10.02, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(4-[(2-hydroxyphenyl)iminomethyl]-1-(3-methylphenyl)-3-phenylpyrazol-5-ol) is sourced from PubChem (CID 170525159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).