dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate

C24H24Cu2N10O6S — CID 139164812

IUPACdicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate
SMILESCO.CO.O=S(=O)([O-])[O-].[Cu+2].[Cu+2].c1cc(-c2cc[n-]n2)nc(-n2cccn2)c1.c1cc(-c2ccn[n-]2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H8N5.2CH4O.2Cu.H2O4S/c2*1-3-9(10-5-7-12-15-10)14-11(4-1)16-8-2-6-13-16;2*1-2;;;1-5(2,3)4/h2*1-8H;2*2H,1H3;;;(H2,1,2,3,4)/q2*-1;;;2*+2;/p-2
InChIKeyPTCTTYITOYLSOG-UHFFFAOYSA-L
MW707.68 g/mol
LogP0.45
Rot. Bonds4

About dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate

dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate (PubChem CID 139164812) has the molecular formula C24H24Cu2N10O6S and a molecular weight of 707.68 g/mol. Its IUPAC name is dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate.

Molecular Properties

Compound Namedicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate
PubChem CID139164812
Molecular FormulaC24H24Cu2N10O6S
Molecular Weight707.68 g/mol
Exact Mass706.02
IUPAC Namedicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate
SMILESCO.CO.O=S(=O)([O-])[O-].[Cu+2].[Cu+2].c1cc(-c2cc[n-]n2)nc(-n2cccn2)c1.c1cc(-c2ccn[n-]2)nc(-n2cccn2)c1
InChIInChI=1S/2C11H8N5.2CH4O.2Cu.H2O4S/c2*1-3-9(10-5-7-12-15-10)14-11(4-1)16-8-2-6-13-16;2*1-2;;;1-5(2,3)4/h2*1-8H;2*2H,1H3;;;(H2,1,2,3,4)/q2*-1;;;2*+2;/p-2
InChIKeyPTCTTYITOYLSOG-UHFFFAOYSA-L
XLogP0.45
TPSA236.12 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.68
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

Bis[3,5-bis(2-pyridyl)pyrazol]-trans-bishydrogensulfato-dicopper(II) dimethanol solvate
CID 139082249
Bis(2-(1-butyltriazol-4-yl)-6-pyrazol-1-ylpyridin-4-amine);iron(2+);diperchlorate
CID 139162124
Dicopper;bis(2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine);dinitrate
CID 139164810
Europium(3+);methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine)
CID 139166862
Methanol;tris(2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine);terbium(3+)
CID 139166863
iron(2+);bis(2-pyrazol-1-yl-6-(2H-tetrazol-5-yl)pyridine);bis(2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine)
CID 139167437
Ethanol;iron(2+);2-pyrazol-1-yl-6-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine;2-pyrazol-1-yl-6-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)pyridine
CID 168338944
iron(2+);bis(2-(3-methylpyrazol-1-yl)-6-(1H-pyrazol-3-yl)pyridine);diperchlorate
CID 168344847
Carbanide;2,6-di(pyrazol-1-yl)pyridine;iridium;2-phenylpyridine
CID 57972984
2-(1,4-Diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-pyrazol-2-id-3-ylpyridine;2-pyridin-2-ylpyridine;ruthenium(2+)
CID 58510473
2-(5-Methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2-(5-methylpyrazol-2-id-3-yl)pyridine;2-pyridin-2-ylpyridine;ruthenium(2+)
CID 58510476
2,6-Bis(3-methylpyrazol-1-yl)pyridine;iridium;2-phenylpyridine;cyanide
CID 58965525

Frequently Asked Questions

What is the IUPAC name of dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate?
The IUPAC name of dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate (CID 139164812) is dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate.
What is the SMILES notation for dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate?
The canonical SMILES for dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate is CO.CO.O=S(=O)([O-])[O-].[Cu+2].[Cu+2].c1cc(-c2cc[n-]n2)nc(-n2cccn2)c1.c1cc(-c2ccn[n-]2)nc(-n2cccn2)c1.
What is the InChIKey of dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate?
The InChIKey is PTCTTYITOYLSOG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H8N5.2CH4O.2Cu.H2O4S/c2*1-3-9(10-5-7-12-15-10)14-11(4-1)16-8-2-6-13-16;2*1-2;;;1-5(2,3)4/h2*1-8H;2*2H,1H3;;;(H2,1,2,3,4)/q2*-1;;;2*+2;/p-2.
What are the key properties of dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate?
dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate has a molecular weight of 707.68 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;methanol;2-pyrazol-1-id-3-yl-6-pyrazol-1-ylpyridine;2-pyrazol-2-id-3-yl-6-pyrazol-1-ylpyridine;sulfate is sourced from PubChem (CID 139164812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).