tris(4-methylpyrazol-1-yl)borane

C12H15BN6 — CID 76900239

IUPACtris(4-methylpyrazol-1-yl)borane
SMILESCc1cnn(B(n2cc(C)cn2)n2cc(C)cn2)c1
InChIInChI=1S/C12H15BN6/c1-10-4-14-17(7-10)13(18-8-11(2)5-15-18)19-9-12(3)6-16-19/h4-9H,1-3H3
InChIKeyJJNRGZSCOHJHRT-UHFFFAOYSA-N
MW254.11 g/mol
LogP1.13
Rot. Bonds3

About tris(4-methylpyrazol-1-yl)borane

tris(4-methylpyrazol-1-yl)borane (PubChem CID 76900239) has the molecular formula C12H15BN6 and a molecular weight of 254.11 g/mol. Its IUPAC name is tris(4-methylpyrazol-1-yl)borane.

Molecular Properties

Compound Nametris(4-methylpyrazol-1-yl)borane
PubChem CID76900239
Molecular FormulaC12H15BN6
Molecular Weight254.11 g/mol
Exact Mass254.15
IUPAC Nametris(4-methylpyrazol-1-yl)borane
SMILESCc1cnn(B(n2cc(C)cn2)n2cc(C)cn2)c1
InChIInChI=1S/C12H15BN6/c1-10-4-14-17(7-10)13(18-8-11(2)5-15-18)19-9-12(3)6-16-19/h4-9H,1-3H3
InChIKeyJJNRGZSCOHJHRT-UHFFFAOYSA-N
XLogP1.13
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-methylpyrazol-1-yl)borane?
The IUPAC name of tris(4-methylpyrazol-1-yl)borane (CID 76900239) is tris(4-methylpyrazol-1-yl)borane.
What is the SMILES notation for tris(4-methylpyrazol-1-yl)borane?
The canonical SMILES for tris(4-methylpyrazol-1-yl)borane is Cc1cnn(B(n2cc(C)cn2)n2cc(C)cn2)c1.
What is the InChIKey of tris(4-methylpyrazol-1-yl)borane?
The InChIKey is JJNRGZSCOHJHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BN6/c1-10-4-14-17(7-10)13(18-8-11(2)5-15-18)19-9-12(3)6-16-19/h4-9H,1-3H3.
What are the key properties of tris(4-methylpyrazol-1-yl)borane?
tris(4-methylpyrazol-1-yl)borane has a molecular weight of 254.11 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylpyrazol-1-yl)borane is sourced from PubChem (CID 76900239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).