copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate)

C20H22CuN4O4 — CID 139058412

IUPACcopper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate)
SMILESCO.CO.[Cu+2].[O-]c1ccccc1-c1cc[nH]n1.[O-]c1ccccc1-c1cc[nH]n1
InChIInChI=1S/2C9H8N2O.2CH4O.Cu/c2*12-9-4-2-1-3-7(9)8-5-6-10-11-8;2*1-2;/h2*1-6,12H,(H,10,11);2*2H,1H3;/q;;;;+2/p-2
InChIKeyKJMCFGQZACLILR-UHFFFAOYSA-L
MW445.97 g/mol
LogP1.52
Rot. Bonds2

About copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate)

copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate) (PubChem CID 139058412) has the molecular formula C20H22CuN4O4 and a molecular weight of 445.97 g/mol. Its IUPAC name is copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate).

Molecular Properties

Compound Namecopper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate)
PubChem CID139058412
Molecular FormulaC20H22CuN4O4
Molecular Weight445.97 g/mol
Exact Mass445.09
IUPAC Namecopper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate)
SMILESCO.CO.[Cu+2].[O-]c1ccccc1-c1cc[nH]n1.[O-]c1ccccc1-c1cc[nH]n1
InChIInChI=1S/2C9H8N2O.2CH4O.Cu/c2*12-9-4-2-1-3-7(9)8-5-6-10-11-8;2*1-2;/h2*1-6,12H,(H,10,11);2*2H,1H3;/q;;;;+2/p-2
InChIKeyKJMCFGQZACLILR-UHFFFAOYSA-L
XLogP1.52
TPSA143.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate)?
The IUPAC name of copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate) (CID 139058412) is copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate).
What is the SMILES notation for copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate)?
The canonical SMILES for copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate) is CO.CO.[Cu+2].[O-]c1ccccc1-c1cc[nH]n1.[O-]c1ccccc1-c1cc[nH]n1.
What is the InChIKey of copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate)?
The InChIKey is KJMCFGQZACLILR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H8N2O.2CH4O.Cu/c2*12-9-4-2-1-3-7(9)8-5-6-10-11-8;2*1-2;/h2*1-6,12H,(H,10,11);2*2H,1H3;/q;;;;+2/p-2.
What are the key properties of copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate)?
copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate) has a molecular weight of 445.97 g/mol, XLogP of 1.52, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;methanol;bis(2-(1H-pyrazol-3-yl)phenolate) is sourced from PubChem (CID 139058412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).