cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol)

C36H34CoN6O4 — CID 170524784

IUPACcobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol)
SMILESCc1cccc(O)c1/N=C\c1c(C)nn(-c2ccccc2)c1O.Cc1cccc(O)c1/N=C\c1c(C)nn(-c2ccccc2)c1O.[Co]
InChIInChI=1S/2C18H17N3O2.Co/c2*1-12-7-6-10-16(22)17(12)19-11-15-13(2)20-21(18(15)23)14-8-4-3-5-9-14;/h2*3-11,22-23H,1-2H3;/b2*19-11-;
InChIKeyYVTXUXJEUSJVRS-JPOFALDVSA-N
MW673.64 g/mol
LogP7.30
Rot. Bonds6

About cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol)

cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol) (PubChem CID 170524784) has the molecular formula C36H34CoN6O4 and a molecular weight of 673.64 g/mol. Its IUPAC name is cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol).

Molecular Properties

Compound Namecobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol)
PubChem CID170524784
Molecular FormulaC36H34CoN6O4
Molecular Weight673.64 g/mol
Exact Mass673.20
IUPAC Namecobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol)
SMILESCc1cccc(O)c1/N=C\c1c(C)nn(-c2ccccc2)c1O.Cc1cccc(O)c1/N=C\c1c(C)nn(-c2ccccc2)c1O.[Co]
InChIInChI=1S/2C18H17N3O2.Co/c2*1-12-7-6-10-16(22)17(12)19-11-15-13(2)20-21(18(15)23)14-8-4-3-5-9-14;/h2*3-11,22-23H,1-2H3;/b2*19-11-;
InChIKeyYVTXUXJEUSJVRS-JPOFALDVSA-N
XLogP7.30
TPSA141.28 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.64
LogP ≤ 57.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol)?
The IUPAC name of cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol) (CID 170524784) is cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol).
What is the SMILES notation for cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol)?
The canonical SMILES for cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol) is Cc1cccc(O)c1/N=C\c1c(C)nn(-c2ccccc2)c1O.Cc1cccc(O)c1/N=C\c1c(C)nn(-c2ccccc2)c1O.[Co].
What is the InChIKey of cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol)?
The InChIKey is YVTXUXJEUSJVRS-JPOFALDVSA-N. The full InChI is InChI=1S/2C18H17N3O2.Co/c2*1-12-7-6-10-16(22)17(12)19-11-15-13(2)20-21(18(15)23)14-8-4-3-5-9-14;/h2*3-11,22-23H,1-2H3;/b2*19-11-;.
What are the key properties of cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol)?
cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol) has a molecular weight of 673.64 g/mol, XLogP of 7.30, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(4-[(2-hydroxy-6-methylphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol) is sourced from PubChem (CID 170524784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).