Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+)

C₃₆H₆₄B₂CrN₈ — CID 139154857

About Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+)

Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+) (PubChem CID 139154857) has the molecular formula C₃₆H₆₄B₂CrN₈ and a molecular weight of 682.58 g/mol. Its IUPAC name is bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+).

Molecular Properties

• Compound Name: Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+)
• PubChem CID: 139154857
• Molecular Formula: C₃₆H₆₄B₂CrN₈
• Molecular Weight: 682.58 g/mol
• Exact Mass: 682.48
• IUPAC Name: bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+)
• SMILES: CC(C)c1cc(C(C)C)n([BH2-]n2nc(C(C)C)cc2C(C)C)n1.CC(C)c1cc(C(C)C)n([BH2-]n2nc(C(C)C)cc2C(C)C)n1.[Cr+2]
• InChI: InChI=1S/2C18H32BN4.Cr/c2*1-11(2)15-9-17(13(5)6)22(20-15)19-23-18(14(7)8)10-16(21-23)12(3)4;/h2*9-14H,19H2,1-8H3;/q2*-1;+2
• InChIKey: QRAXAVCTOJECEG-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.58
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+)?

The IUPAC name of Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+) (CID 139154857) is bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+).

What is the SMILES notation for Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+)?

The canonical SMILES for Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+) is CC(C)c1cc(C(C)C)n([BH2-]n2nc(C(C)C)cc2C(C)C)n1.CC(C)c1cc(C(C)C)n([BH2-]n2nc(C(C)C)cc2C(C)C)n1.[Cr+2].

What is the InChIKey of Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+)?

The InChIKey is QRAXAVCTOJECEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H32BN4.Cr/c2*1-11(2)15-9-17(13(5)6)22(20-15)19-23-18(14(7)8)10-16(21-23)12(3)4;/h2*9-14H,19H2,1-8H3;/q2*-1;+2.

What are the key properties of Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+)?

Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+) has a molecular weight of 682.58 g/mol, XLogP of 7.93, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(bis[3,5-di(propan-2-yl)pyrazol-1-yl]boranuide);chromium(2+) is sourced from PubChem (CID 139154857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139154857 — identifiers, structure, computed properties (public domain)

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