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

IUPACmanganese;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)
SMILESCO.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]
InChIInChI=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
InChIKeyTWZLSZKKBDBXTD-UHFFFAOYSA-J
MW895.76 g/mol
LogP3.28
Rot. Bonds4

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 Namemanganese;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 CID139158866
Molecular FormulaC43H45Mn2N8O7-4
Molecular Weight895.76 g/mol
Exact Mass895.22
IUPAC Namemanganese;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)
SMILESCO.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]
InChIInChI=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
InChIKeyTWZLSZKKBDBXTD-UHFFFAOYSA-J
XLogP3.28
TPSA267.10 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.76
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

bis(3,5-diphenylpyrazol-1-yl)-[3-(2-oxidophenyl)-5-phenylpyrazol-1-yl]boranuide;3,5-diphenyl-1H-pyrazole;iron(3+);acetate
CID 139119629
CID 139137456
CID 139137456
tetrakis(tert-butyl-dioxido-oxo-lambda5-phosphane);tetrakis(iron(3+));tetrakis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate)
CID 139142012
Ethanol;tris(manganese(3+));tris(2-(5-methylpyrazol-2-id-3-yl)phenolate);oxygen(2-);acetate
CID 139149953
ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate
CID 139158868
Octakis(manganese(3+));oxolane;tetrakis(oxygen(2-));heptakis(2-pyrazol-1-id-3-ylphenolate);2-pyrazol-2-id-3-ylphenolate
CID 139161445
Ethanol;octakis(manganese(3+));tetrakis(oxygen(2-));tris(2-pyrazol-1-id-3-ylphenolate);pentakis(2-pyrazol-2-id-3-ylphenolate)
CID 139161446
Tris(manganese(3+));methanol;oxygen(2-);bis(2-pyrazol-1-id-3-ylphenolate);2-pyrazol-2-id-3-ylphenolate;acetate
CID 168344941
bis(2-[5-[3-(2-oxidophenyl)pyrazol-1-id-5-yl]-1H-pyrazol-3-yl]phenolate);bis(oxygen(2-));bis(tetrabutylazanium);bis(titanium(4+))
CID 168351749
sodium;manganese;manganese(3+);methanol;bis(2-(5-phenylpyrazol-1-id-3-yl)phenolate);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);diformate
CID 139158867

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).