copper;bis(1H-pyrazole-5-carboxylate);pyridine

C13H11CuN5O4 — CID 174826525

IUPACcopper;bis(1H-pyrazole-5-carboxylate);pyridine
SMILESO=C([O-])c1ccn[nH]1.O=C([O-])c1ccn[nH]1.[Cu+2].c1ccncc1
InChIInChI=1S/C5H5N.2C4H4N2O2.Cu/c1-2-4-6-5-3-1;2*7-4(8)3-1-2-5-6-3;/h1-5H;2*1-2H,(H,5,6)(H,7,8);/q;;;+2/p-2
InChIKeyWZWMBJCTKBUBFL-UHFFFAOYSA-L
MW364.81 g/mol
LogP-1.37
Rot. Bonds2

About copper;bis(1H-pyrazole-5-carboxylate);pyridine

copper;bis(1H-pyrazole-5-carboxylate);pyridine (PubChem CID 174826525) has the molecular formula C13H11CuN5O4 and a molecular weight of 364.81 g/mol. Its IUPAC name is copper;bis(1H-pyrazole-5-carboxylate);pyridine.

Molecular Properties

Compound Namecopper;bis(1H-pyrazole-5-carboxylate);pyridine
PubChem CID174826525
Molecular FormulaC13H11CuN5O4
Molecular Weight364.81 g/mol
Exact Mass364.01
IUPAC Namecopper;bis(1H-pyrazole-5-carboxylate);pyridine
SMILESO=C([O-])c1ccn[nH]1.O=C([O-])c1ccn[nH]1.[Cu+2].c1ccncc1
InChIInChI=1S/C5H5N.2C4H4N2O2.Cu/c1-2-4-6-5-3-1;2*7-4(8)3-1-2-5-6-3;/h1-5H;2*1-2H,(H,5,6)(H,7,8);/q;;;+2/p-2
InChIKeyWZWMBJCTKBUBFL-UHFFFAOYSA-L
XLogP-1.37
TPSA150.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of copper;bis(1H-pyrazole-5-carboxylate);pyridine?
The IUPAC name of copper;bis(1H-pyrazole-5-carboxylate);pyridine (CID 174826525) is copper;bis(1H-pyrazole-5-carboxylate);pyridine.
What is the SMILES notation for copper;bis(1H-pyrazole-5-carboxylate);pyridine?
The canonical SMILES for copper;bis(1H-pyrazole-5-carboxylate);pyridine is O=C([O-])c1ccn[nH]1.O=C([O-])c1ccn[nH]1.[Cu+2].c1ccncc1.
What is the InChIKey of copper;bis(1H-pyrazole-5-carboxylate);pyridine?
The InChIKey is WZWMBJCTKBUBFL-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H5N.2C4H4N2O2.Cu/c1-2-4-6-5-3-1;2*7-4(8)3-1-2-5-6-3;/h1-5H;2*1-2H,(H,5,6)(H,7,8);/q;;;+2/p-2.
What are the key properties of copper;bis(1H-pyrazole-5-carboxylate);pyridine?
copper;bis(1H-pyrazole-5-carboxylate);pyridine has a molecular weight of 364.81 g/mol, XLogP of -1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(1H-pyrazole-5-carboxylate);pyridine is sourced from PubChem (CID 174826525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).