trifluoro(1H-pyrazol-4-yl)boranuide

C3H3BF3N2- — CID 25212876

IUPACtrifluoro(1H-pyrazol-4-yl)boranuide
SMILESF[B-](F)(F)c1cn[nH]c1
InChIInChI=1S/C3H3BF3N2/c5-4(6,7)3-1-8-9-2-3/h1-2H,(H,8,9)/q-1
InChIKeyFRYRWIIJCQLVKT-UHFFFAOYSA-N
MW134.88 g/mol
LogP0.46
Rot. Bonds1

About trifluoro(1H-pyrazol-4-yl)boranuide

trifluoro(1H-pyrazol-4-yl)boranuide (PubChem CID 25212876) has the molecular formula C3H3BF3N2- and a molecular weight of 134.88 g/mol. Its IUPAC name is trifluoro(1H-pyrazol-4-yl)boranuide.

Molecular Properties

Compound Nametrifluoro(1H-pyrazol-4-yl)boranuide
PubChem CID25212876
Molecular FormulaC3H3BF3N2-
Molecular Weight134.88 g/mol
Exact Mass135.03
IUPAC Nametrifluoro(1H-pyrazol-4-yl)boranuide
SMILESF[B-](F)(F)c1cn[nH]c1
InChIInChI=1S/C3H3BF3N2/c5-4(6,7)3-1-8-9-2-3/h1-2H,(H,8,9)/q-1
InChIKeyFRYRWIIJCQLVKT-UHFFFAOYSA-N
XLogP0.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.88
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 trifluoro(1H-pyrazol-4-yl)boranuide?
The IUPAC name of trifluoro(1H-pyrazol-4-yl)boranuide (CID 25212876) is trifluoro(1H-pyrazol-4-yl)boranuide.
What is the SMILES notation for trifluoro(1H-pyrazol-4-yl)boranuide?
The canonical SMILES for trifluoro(1H-pyrazol-4-yl)boranuide is F[B-](F)(F)c1cn[nH]c1.
What is the InChIKey of trifluoro(1H-pyrazol-4-yl)boranuide?
The InChIKey is FRYRWIIJCQLVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BF3N2/c5-4(6,7)3-1-8-9-2-3/h1-2H,(H,8,9)/q-1.
What are the key properties of trifluoro(1H-pyrazol-4-yl)boranuide?
trifluoro(1H-pyrazol-4-yl)boranuide has a molecular weight of 134.88 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro(1H-pyrazol-4-yl)boranuide is sourced from PubChem (CID 25212876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).