Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate)

C₄₃H₄₅Mn₂N₈O₇-4 — CID 139158866

About Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate)

Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate) (PubChem CID 139158866) has the molecular formula C₄₃H₄₅Mn₂N₈O₇-4 and a molecular weight of 895.76 g/mol. Its IUPAC name is manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate).

Molecular Properties

• Compound Name: Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate)
• PubChem CID: 139158866
• Molecular Formula: C₄₃H₄₅Mn₂N₈O₇-4
• Molecular Weight: 895.76 g/mol
• Exact Mass: 895.22
• IUPAC Name: manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate)
• SMILES: CO.CO.C[O-].Cc1cc(-c2ccccc2[O-])[n-]n1.Cc1cc(-c2ccccc2[O-])n[n-]1.Cc1cc(-c2ccccc2[O-])n[nH]1.Cc1cc(-c2ccccc2[O-])n[nH]1.[Mn+3].[Mn]
• InChI: InChI=1S/2C10H10N2O.2C10H9N2O.2CH4O.CH3O.2Mn/c4*1-7-6-9(12-11-7)8-4-2-3-5-10(8)13;3*1-2;;/h2*2-6,13H,1H3,(H,11,12);2*2-6H,1H3,(H-,11,12,13);2*2H,1H3;1H3;;/q;;2*-1;;;-1;;+3/p-4
• InChIKey: TWZLSZKKBDBXTD-UHFFFAOYSA-J
• XLogP: 3.28
• TPSA: 267.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.76
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate)?

The IUPAC name of Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate) (CID 139158866) is manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate).

What is the SMILES notation for Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate)?

The canonical SMILES for Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate) is CO.CO.C[O-].Cc1cc(-c2ccccc2[O-])[n-]n1.Cc1cc(-c2ccccc2[O-])n[n-]1.Cc1cc(-c2ccccc2[O-])n[nH]1.Cc1cc(-c2ccccc2[O-])n[nH]1.[Mn+3].[Mn].

What is the InChIKey of Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate)?

The InChIKey is TWZLSZKKBDBXTD-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H10N2O.2C10H9N2O.2CH4O.CH3O.2Mn/c4*1-7-6-9(12-11-7)8-4-2-3-5-10(8)13;3*1-2;;/h2*2-6,13H,1H3,(H,11,12);2*2-6H,1H3,(H-,11,12,13);2*2H,1H3;1H3;;/q;;2*-1;;;-1;;+3/p-4.

What are the key properties of Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate)?

Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate) has a molecular weight of 895.76 g/mol, XLogP of 3.28, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for Manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate) is sourced from PubChem (CID 139158866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139158866 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.