bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate

C34H32B2Cl4N13O3Pr — CID 139043486

About bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate

bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate (PubChem CID 139043486) has the molecular formula C34H32B2Cl4N13O3Pr and a molecular weight of 975.06 g/mol. Its IUPAC name is bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate.

Molecular Properties

• Compound Name: bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate
• PubChem CID: 139043486
• Molecular Formula: C34H32B2Cl4N13O3Pr
• Molecular Weight: 975.06 g/mol
• Exact Mass: 973.08
• IUPAC Name: bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate
• SMILES: ClCCl.ClCCl.O=[N+]([O-])[O-].[BH2-](n1ccc(-c2ccccn2)n1)n1ccc(-c2ccccn2)n1.[BH2-](n1ccc(-c2ccccn2)n1)n1ccc(-c2ccccn2)n1.[Pr+3]
• InChI: InChI=1S/2C16H14BN6.2CH2Cl2.NO3.Pr/c2*1-3-9-18-13(5-1)15-7-11-22(20-15)17-23-12-8-16(21-23)14-6-2-4-10-19-14;2*2-1-3;2-1(3)4;/h2*1-12H,17H2;2*1H2;;/q2*-1;;;-1;+3
• InChIKey: LCQVGWIKVAMINO-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 189.04 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	975.06
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'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 bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate?

The IUPAC name of bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate (CID 139043486) is bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate.

What is the SMILES notation for bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate?

The canonical SMILES for bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate is ClCCl.ClCCl.O=[N+]([O-])[O-].[BH2-](n1ccc(-c2ccccn2)n1)n1ccc(-c2ccccn2)n1.[BH2-](n1ccc(-c2ccccn2)n1)n1ccc(-c2ccccn2)n1.[Pr+3].

What is the InChIKey of bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate?

The InChIKey is LCQVGWIKVAMINO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14BN6.2CH2Cl2.NO3.Pr/c2*1-3-9-18-13(5-1)15-7-11-22(20-15)17-23-12-8-16(21-23)14-6-2-4-10-19-14;2*2-1-3;2-1(3)4;/h2*1-12H,17H2;2*1H2;;/q2*-1;;;-1;+3.

What are the key properties of bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate?

bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate has a molecular weight of 975.06 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(bis(3-pyridin-2-ylpyrazol-1-yl)boranuide);bis(dichloromethane);praseodymium(3+);nitrate is sourced from PubChem (CID 139043486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).