trifluoro-(1-methylpyrazol-3-yl)boranuide

C4H5BF3N2- — CID 79779434

IUPACtrifluoro-(1-methylpyrazol-3-yl)boranuide
SMILESCn1ccc([B-](F)(F)F)n1
InChIInChI=1S/C4H5BF3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3/q-1
InChIKeyJGZOKQSWGLCOLY-UHFFFAOYSA-N
MW148.90 g/mol
LogP0.47
Rot. Bonds1

About trifluoro-(1-methylpyrazol-3-yl)boranuide

trifluoro-(1-methylpyrazol-3-yl)boranuide (PubChem CID 79779434) has the molecular formula C4H5BF3N2- and a molecular weight of 148.90 g/mol. Its IUPAC name is trifluoro-(1-methylpyrazol-3-yl)boranuide.

Molecular Properties

Compound Nametrifluoro-(1-methylpyrazol-3-yl)boranuide
PubChem CID79779434
Molecular FormulaC4H5BF3N2-
Molecular Weight148.90 g/mol
Exact Mass149.05
IUPAC Nametrifluoro-(1-methylpyrazol-3-yl)boranuide
SMILESCn1ccc([B-](F)(F)F)n1
InChIInChI=1S/C4H5BF3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3/q-1
InChIKeyJGZOKQSWGLCOLY-UHFFFAOYSA-N
XLogP0.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.90
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chromium;1,3-dimethylpyrazole
CID 174318008
1-methylpyrazol-3-amine;dihydrochloride
CID 67521051
3-(difluoromethoxy)-1-methylpyrazole
CID 19424663
3-ethyl-1-methylpyrazole;propane
CID 170573719
(1-methylpyrazol-3-yl)boronic acid
CID 53338706
(1-methylpyrazol-3-yl)hydrazine;trihydrochloride
CID 75525830
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
1,3-dimethylpyrazole;phosphoric acid
CID 18388538
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
1-methylpyrazole-3-carboxamide
CID 13464586
fluorocopper;1-methyl-3-(2,4,6-trimethylphenyl)pyrazole
CID 140599675
2-[methyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanethioamide
CID 82866933

Frequently Asked Questions

What is the IUPAC name of trifluoro-(1-methylpyrazol-3-yl)boranuide?
The IUPAC name of trifluoro-(1-methylpyrazol-3-yl)boranuide (CID 79779434) is trifluoro-(1-methylpyrazol-3-yl)boranuide.
What is the SMILES notation for trifluoro-(1-methylpyrazol-3-yl)boranuide?
The canonical SMILES for trifluoro-(1-methylpyrazol-3-yl)boranuide is Cn1ccc([B-](F)(F)F)n1.
What is the InChIKey of trifluoro-(1-methylpyrazol-3-yl)boranuide?
The InChIKey is JGZOKQSWGLCOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BF3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3/q-1.
What are the key properties of trifluoro-(1-methylpyrazol-3-yl)boranuide?
trifluoro-(1-methylpyrazol-3-yl)boranuide has a molecular weight of 148.90 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoro-(1-methylpyrazol-3-yl)boranuide is sourced from PubChem (CID 79779434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).