About cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol
cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol (PubChem CID 170524849) has the molecular formula C34H30CoN6O7S
and a molecular weight of 725.65 g/mol. Its IUPAC name is cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol.
Molecular Properties
| Compound Name | cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol |
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| PubChem CID | 170524849 |
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| Molecular Formula | C34H30CoN6O7S |
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| Molecular Weight | 725.65 g/mol |
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| Exact Mass | 725.12 |
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| IUPAC Name | cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol |
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| SMILES | Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/C=N\c1ccccc1O.Cc1nn(-c2ccccc2)c(O)c1/C=N\c1ccccc1O.[Co] |
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| InChI | InChI=1S/C17H15N3O5S.C17H15N3O2.Co/c1-11-14(10-18-15-4-2-3-5-16(15)21)17(22)20(19-11)12-6-8-13(9-7-12)26(23,24)25;1-12-14(11-18-15-9-5-6-10-16(15)21)17(22)20(19-12)13-7-3-2-4-8-13;/h2-10,21-22H,1H3,(H,23,24,25);2-11,21-22H,1H3;/b18-10-;18-11-; |
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| InChIKey | PPACUJVVOJOXRM-DZAVWCROSA-N |
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| XLogP | 5.93 |
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| TPSA | 195.65 Ų |
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| H-Bond Donors | 5 |
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| H-Bond Acceptors | 12 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 49 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 725.65 |
| LogP ≤ 5 | 5.93 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 12 |
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'} |
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Analyze cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol with MolForge
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Frequently Asked Questions
What is the IUPAC name of cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
The IUPAC name of cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol (CID 170524849) is cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol.
What is the SMILES notation for cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
The canonical SMILES for cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol is Cc1nn(-c2ccc(S(=O)(=O)O)cc2)c(O)c1/C=N\c1ccccc1O.Cc1nn(-c2ccccc2)c(O)c1/C=N\c1ccccc1O.[Co].
What is the InChIKey of cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
The InChIKey is PPACUJVVOJOXRM-DZAVWCROSA-N. The full InChI is InChI=1S/C17H15N3O5S.C17H15N3O2.Co/c1-11-14(10-18-15-4-2-3-5-16(15)21)17(22)20(19-11)12-6-8-13(9-7-12)26(23,24)25;1-12-14(11-18-15-9-5-6-10-16(15)21)17(22)20(19-12)13-7-3-2-4-8-13;/h2-10,21-22H,1H3,(H,23,24,25);2-11,21-22H,1H3;/b18-10-;18-11-;.
What are the key properties of cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol?
cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol has a molecular weight of 725.65 g/mol, XLogP of 5.93, 7 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;4-[5-hydroxy-4-[(2-hydroxyphenyl)iminomethyl]-3-methylpyrazol-1-yl]benzenesulfonic acid;4-[(2-hydroxyphenyl)iminomethyl]-3-methyl-1-phenylpyrazol-5-ol is sourced from PubChem (CID 170524849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).