3-(trifluoromethyl)-1H-pyrazol-1-ium

C4H4F3N2+ — CID 143235174

IUPAC3-(trifluoromethyl)-1H-pyrazol-1-ium
SMILESFC(F)(F)C1=N[NH2+]C=C1
InChIInChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)/p+1
InChIKeyPYXNITNKYBLBMW-UHFFFAOYSA-O
MW137.08 g/mol
LogP-0.00
Rot. Bonds

About 3-(trifluoromethyl)-1H-pyrazol-1-ium

3-(trifluoromethyl)-1H-pyrazol-1-ium (PubChem CID 143235174) has the molecular formula C4H4F3N2+ and a molecular weight of 137.08 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1H-pyrazol-1-ium.

Molecular Properties

Compound Name3-(trifluoromethyl)-1H-pyrazol-1-ium
PubChem CID143235174
Molecular FormulaC4H4F3N2+
Molecular Weight137.08 g/mol
Exact Mass137.03
IUPAC Name3-(trifluoromethyl)-1H-pyrazol-1-ium
SMILESFC(F)(F)C1=N[NH2+]C=C1
InChIInChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)/p+1
InChIKeyPYXNITNKYBLBMW-UHFFFAOYSA-O
XLogP-0.00
TPSA28.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.08
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methanidyl-3-(trifluoromethyl)-1H-pyrazol-1-ium
CID 89027379
N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]ethenamine
CID 138514240
(E)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]but-1-en-1-amine
CID 143775396
N-[(E)-1,1,1-trifluorobut-3-en-2-ylideneamino]methanamine
CID 143966920
3-(Trifluoromethyl)-1,4-dihydropyridazine
CID 162534477
4,4,4-Trifluoro-3-iminobut-1-en-1-amine
CID 162535113
1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium
CID 173171017
(Z)-4,4,4-trifluoro-3-iminobut-1-en-1-amine
CID 162575792
1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium iodide
CID 162616565
3-methyl-1H-pyrazol-1-ium tetrafluoroborate
CID 23079609
3-methyl-1H-pyrazol-1-ium
CID 3403352

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1H-pyrazol-1-ium?
The IUPAC name of 3-(trifluoromethyl)-1H-pyrazol-1-ium (CID 143235174) is 3-(trifluoromethyl)-1H-pyrazol-1-ium.
What is the SMILES notation for 3-(trifluoromethyl)-1H-pyrazol-1-ium?
The canonical SMILES for 3-(trifluoromethyl)-1H-pyrazol-1-ium is FC(F)(F)C1=N[NH2+]C=C1.
What is the InChIKey of 3-(trifluoromethyl)-1H-pyrazol-1-ium?
The InChIKey is PYXNITNKYBLBMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H3F3N2/c5-4(6,7)3-1-2-8-9-3/h1-2H,(H,8,9)/p+1.
What are the key properties of 3-(trifluoromethyl)-1H-pyrazol-1-ium?
3-(trifluoromethyl)-1H-pyrazol-1-ium has a molecular weight of 137.08 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1H-pyrazol-1-ium is sourced from PubChem (CID 143235174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).