tris(3-pyridin-2-ylpyrazol-1-yl)borane

C24H18BN9 — CID 70902506

IUPACtris(3-pyridin-2-ylpyrazol-1-yl)borane
SMILESc1ccc(-c2ccn(B(n3ccc(-c4ccccn4)n3)n3ccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C24H18BN9/c1-4-13-26-19(7-1)22-10-16-32(29-22)25(33-17-11-23(30-33)20-8-2-5-14-27-20)34-18-12-24(31-34)21-9-3-6-15-28-21/h1-18H
InChIKeyOBQZEJAKULOGNQ-UHFFFAOYSA-N
MW443.28 g/mol
LogP3.39
Rot. Bonds6

About tris(3-pyridin-2-ylpyrazol-1-yl)borane

tris(3-pyridin-2-ylpyrazol-1-yl)borane (PubChem CID 70902506) has the molecular formula C24H18BN9 and a molecular weight of 443.28 g/mol. Its IUPAC name is tris(3-pyridin-2-ylpyrazol-1-yl)borane.

Molecular Properties

Compound Nametris(3-pyridin-2-ylpyrazol-1-yl)borane
PubChem CID70902506
Molecular FormulaC24H18BN9
Molecular Weight443.28 g/mol
Exact Mass443.18
IUPAC Nametris(3-pyridin-2-ylpyrazol-1-yl)borane
SMILESc1ccc(-c2ccn(B(n3ccc(-c4ccccn4)n3)n3ccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C24H18BN9/c1-4-13-26-19(7-1)22-10-16-32(29-22)25(33-17-11-23(30-33)20-8-2-5-14-27-20)34-18-12-24(31-34)21-9-3-6-15-28-21/h1-18H
InChIKeyOBQZEJAKULOGNQ-UHFFFAOYSA-N
XLogP3.39
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze tris(3-pyridin-2-ylpyrazol-1-yl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(3-pyridin-2-ylpyrazol-1-yl)borane?
The IUPAC name of tris(3-pyridin-2-ylpyrazol-1-yl)borane (CID 70902506) is tris(3-pyridin-2-ylpyrazol-1-yl)borane.
What is the SMILES notation for tris(3-pyridin-2-ylpyrazol-1-yl)borane?
The canonical SMILES for tris(3-pyridin-2-ylpyrazol-1-yl)borane is c1ccc(-c2ccn(B(n3ccc(-c4ccccn4)n3)n3ccc(-c4ccccn4)n3)n2)nc1.
What is the InChIKey of tris(3-pyridin-2-ylpyrazol-1-yl)borane?
The InChIKey is OBQZEJAKULOGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BN9/c1-4-13-26-19(7-1)22-10-16-32(29-22)25(33-17-11-23(30-33)20-8-2-5-14-27-20)34-18-12-24(31-34)21-9-3-6-15-28-21/h1-18H.
What are the key properties of tris(3-pyridin-2-ylpyrazol-1-yl)borane?
tris(3-pyridin-2-ylpyrazol-1-yl)borane has a molecular weight of 443.28 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-pyridin-2-ylpyrazol-1-yl)borane is sourced from PubChem (CID 70902506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).