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

C5H6F3N2+ — CID 173171017

IUPAC1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium
SMILESC[NH+]1C=CC(C(F)(F)F)=N1
InChIInChI=1S/C5H5F3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3/p+1
InChIKeyMQSLINQSJFALSP-UHFFFAOYSA-O
MW151.11 g/mol
LogP-0.05
Rot. Bonds

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

1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium (PubChem CID 173171017) has the molecular formula C5H6F3N2+ and a molecular weight of 151.11 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium
PubChem CID173171017
Molecular FormulaC5H6F3N2+
Molecular Weight151.11 g/mol
Exact Mass151.05
IUPAC Name1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium
SMILESC[NH+]1C=CC(C(F)(F)F)=N1
InChIInChI=1S/C5H5F3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3/p+1
InChIKeyMQSLINQSJFALSP-UHFFFAOYSA-O
XLogP-0.05
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium (CID 173171017) is 1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium is C[NH+]1C=CC(C(F)(F)F)=N1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium?
The InChIKey is MQSLINQSJFALSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5F3N2/c1-10-3-2-4(9-10)5(6,7)8/h2-3H,1H3/p+1.
What are the key properties of 1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium?
1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium has a molecular weight of 151.11 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ium is sourced from PubChem (CID 173171017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).