chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine

C26H28Cl2CuN11O — CID 158148051

About chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine

chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine (PubChem CID 158148051) has the molecular formula C26H28Cl2CuN11O and a molecular weight of 645.04 g/mol. Its IUPAC name is chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine.

Molecular Properties

• Compound Name: chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine
• PubChem CID: 158148051
• Molecular Formula: C26H28Cl2CuN11O
• Molecular Weight: 645.04 g/mol
• Exact Mass: 643.12
• IUPAC Name: chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine
• SMILES: CCOC=CC#N.Cl[Cu].Clc1ccn(-c2cccnc2)n1.NNc1cccnc1.Nc1ccn(-c2cccnc2)n1
• InChI: InChI=1S/C8H6ClN3.C8H8N4.C5H7N3.C5H7NO.ClH.Cu/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;6-8-5-2-1-3-7-4-5;1-2-7-5-3-4-6;;/h1-6H;1-6H,(H2,9,11);1-4,8H,6H2;3,5H,2H2,1H3;1H;/q;;;;;+1/p-1
• InChIKey: FUTJKTAOZRDWJK-UHFFFAOYSA-M
• XLogP: 4.88
• TPSA: 171.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.04
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine?

The IUPAC name of chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine (CID 158148051) is chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine.

What is the SMILES notation for chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine?

The canonical SMILES for chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine is CCOC=CC#N.Cl[Cu].Clc1ccn(-c2cccnc2)n1.NNc1cccnc1.Nc1ccn(-c2cccnc2)n1.

What is the InChIKey of chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine?

The InChIKey is FUTJKTAOZRDWJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6ClN3.C8H8N4.C5H7N3.C5H7NO.ClH.Cu/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;6-8-5-2-1-3-7-4-5;1-2-7-5-3-4-6;;/h1-6H;1-6H,(H2,9,11);1-4,8H,6H2;3,5H,2H2,1H3;1H;/q;;;;;+1/p-1.

What are the key properties of chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine?

chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine has a molecular weight of 645.04 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for chlorocopper;3-(3-chloropyrazol-1-yl)pyridine;3-ethoxyprop-2-enenitrile;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine is sourced from PubChem (CID 158148051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).