Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate

C₃₂H₃₈CuN₁₂O₆ — CID 139082457

About Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate

Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate (PubChem CID 139082457) has the molecular formula C₃₂H₃₈CuN₁₂O₆ and a molecular weight of 750.28 g/mol. Its IUPAC name is copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate.

Molecular Properties

• Compound Name: Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate
• PubChem CID: 139082457
• Molecular Formula: C₃₂H₃₈CuN₁₂O₆
• Molecular Weight: 750.28 g/mol
• Exact Mass: 749.23
• IUPAC Name: copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate
• SMILES: Cc1cc(C)n(C(c2ccccn2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2ccccn2)n2nc(C)cc2C)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2]
• InChI: InChI=1S/2C16H19N5.Cu.2NO3/c2*1-11-9-13(3)20(18-11)16(15-7-5-6-8-17-15)21-14(4)10-12(2)19-21;;2*2-1(3)4/h2*5-10,16H,1-4H3;;;/q;;+2;2*-1
• InChIKey: YGJQDEPJNSWOSR-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 229.46 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	750.28
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate?

The IUPAC name of Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate (CID 139082457) is copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate.

What is the SMILES notation for Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate?

The canonical SMILES for Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate is Cc1cc(C)n(C(c2ccccn2)n2nc(C)cc2C)n1.Cc1cc(C)n(C(c2ccccn2)n2nc(C)cc2C)n1.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Cu+2].

What is the InChIKey of Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate?

The InChIKey is YGJQDEPJNSWOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H19N5.Cu.2NO3/c2*1-11-9-13(3)20(18-11)16(15-7-5-6-8-17-15)21-14(4)10-12(2)19-21;;2*2-1(3)4/h2*5-10,16H,1-4H3;;;/q;;+2;2*-1.

What are the key properties of Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate?

Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate has a molecular weight of 750.28 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for Copper;bis(2-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);dinitrate is sourced from PubChem (CID 139082457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139082457 — identifiers, structure, computed properties (public domain)

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