2-methyl-1H-pyrazol-2-ium tetrafluoroborate

C4H7BF4N2 — CID 89400280

IUPAC2-methyl-1H-pyrazol-2-ium tetrafluoroborate
SMILESC[n+]1ccc[nH]1.F[B-](F)(F)F
InChIInChI=1S/C4H6N2.BF4/c1-6-4-2-3-5-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1
InChIKeyXGNDSGIABOPDBP-UHFFFAOYSA-O
MW169.92 g/mol
LogP1.14
Rot. Bonds

About 2-methyl-1H-pyrazol-2-ium tetrafluoroborate

2-methyl-1H-pyrazol-2-ium tetrafluoroborate (PubChem CID 89400280) has the molecular formula C4H7BF4N2 and a molecular weight of 169.92 g/mol. Its IUPAC name is 2-methyl-1H-pyrazol-2-ium tetrafluoroborate.

Molecular Properties

Compound Name2-methyl-1H-pyrazol-2-ium tetrafluoroborate
PubChem CID89400280
Molecular FormulaC4H7BF4N2
Molecular Weight169.92 g/mol
Exact Mass170.06
IUPAC Name2-methyl-1H-pyrazol-2-ium tetrafluoroborate
SMILESC[n+]1ccc[nH]1.F[B-](F)(F)F
InChIInChI=1S/C4H6N2.BF4/c1-6-4-2-3-5-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1
InChIKeyXGNDSGIABOPDBP-UHFFFAOYSA-O
XLogP1.14
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.92
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrazol-2-ium tetrafluoroborate?
The IUPAC name of 2-methyl-1H-pyrazol-2-ium tetrafluoroborate (CID 89400280) is 2-methyl-1H-pyrazol-2-ium tetrafluoroborate.
What is the SMILES notation for 2-methyl-1H-pyrazol-2-ium tetrafluoroborate?
The canonical SMILES for 2-methyl-1H-pyrazol-2-ium tetrafluoroborate is C[n+]1ccc[nH]1.F[B-](F)(F)F.
What is the InChIKey of 2-methyl-1H-pyrazol-2-ium tetrafluoroborate?
The InChIKey is XGNDSGIABOPDBP-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6N2.BF4/c1-6-4-2-3-5-6;2-1(3,4)5/h2-4H,1H3;/q;-1/p+1.
What are the key properties of 2-methyl-1H-pyrazol-2-ium tetrafluoroborate?
2-methyl-1H-pyrazol-2-ium tetrafluoroborate has a molecular weight of 169.92 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrazol-2-ium tetrafluoroborate is sourced from PubChem (CID 89400280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).