bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

C19H40B2N4O4P6 — CID 158878284

About bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane

bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (PubChem CID 158878284) has the molecular formula C19H40B2N4O4P6 and a molecular weight of 596.02 g/mol. Its IUPAC name is bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
• PubChem CID: 158878284
• Molecular Formula: C19H40B2N4O4P6
• Molecular Weight: 596.02 g/mol
• Exact Mass: 596.17
• IUPAC Name: bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane
• SMILES: CB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cnn(P(P)P)c2)OC1(C)C.PP(P)n1cccn1
• InChI: InChI=1S/C9H18BN2O2P3.C7H15BO2.C3H7N2P3/c1-8(2)9(3,4)14-10(13-8)7-5-11-12(6-7)17(15)16;1-6(2)7(3,4)10-8(5)9-6;6-8(7)5-3-1-2-4-5/h5-6H,15-16H2,1-4H3;1-5H3;1-3H,6-7H2
• InChIKey: JCSFQGFOOSAKLN-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 72.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.02
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?

The IUPAC name of bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane (CID 158878284) is bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane.

What is the SMILES notation for bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?

The canonical SMILES for bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is CB1OC(C)(C)C(C)(C)O1.CC1(C)OB(c2cnn(P(P)P)c2)OC1(C)C.PP(P)n1cccn1.

What is the InChIKey of bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?

The InChIKey is JCSFQGFOOSAKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BN2O2P3.C7H15BO2.C3H7N2P3/c1-8(2)9(3,4)14-10(13-8)7-5-11-12(6-7)17(15)16;1-6(2)7(3,4)10-8(5)9-6;6-8(7)5-3-1-2-4-5/h5-6H,15-16H2,1-4H3;1-5H3;1-3H,6-7H2.

What are the key properties of bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane?

bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane has a molecular weight of 596.02 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(phosphanyl)-pyrazol-1-ylphosphane;bis(phosphanyl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]phosphane;2,4,4,5,5-pentamethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 158878284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).