potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide

C7H11BF3KN2 — CID 75175990

IUPACpotassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide
SMILESCC(C)(C)c1cc([B-](F)(F)F)[nH]n1.[K+]
InChIInChI=1S/C7H11BF3N2.K/c1-7(2,3)5-4-6(13-12-5)8(9,10)11;/h4H,1-3H3,(H,12,13);/q-1;+1
InChIKeyTVYBIRRDVOVJPL-UHFFFAOYSA-N
MW230.08 g/mol
LogP-1.23
Rot. Bonds1

About potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide

potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide (PubChem CID 75175990) has the molecular formula C7H11BF3KN2 and a molecular weight of 230.08 g/mol. Its IUPAC name is potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide.

Molecular Properties

Compound Namepotassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide
PubChem CID75175990
Molecular FormulaC7H11BF3KN2
Molecular Weight230.08 g/mol
Exact Mass230.06
IUPAC Namepotassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide
SMILESCC(C)(C)c1cc([B-](F)(F)F)[nH]n1.[K+]
InChIInChI=1S/C7H11BF3N2.K/c1-7(2,3)5-4-6(13-12-5)8(9,10)11;/h4H,1-3H3,(H,12,13);/q-1;+1
InChIKeyTVYBIRRDVOVJPL-UHFFFAOYSA-N
XLogP-1.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 5-1.23
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 potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide?
The IUPAC name of potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide (CID 75175990) is potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide.
What is the SMILES notation for potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide?
The canonical SMILES for potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide is CC(C)(C)c1cc([B-](F)(F)F)[nH]n1.[K+].
What is the InChIKey of potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide?
The InChIKey is TVYBIRRDVOVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BF3N2.K/c1-7(2,3)5-4-6(13-12-5)8(9,10)11;/h4H,1-3H3,(H,12,13);/q-1;+1.
What are the key properties of potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide?
potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide has a molecular weight of 230.08 g/mol, XLogP of -1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (3-tert-butyl-1H-pyrazol-5-yl)-trifluoroboranuide is sourced from PubChem (CID 75175990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).