3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium

C8H12F3N2+ — CID 59826476

IUPAC3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium
SMILESCc1cc(C(F)(F)F)[nH][n+]1C(C)C
InChIInChI=1S/C8H11F3N2/c1-5(2)13-6(3)4-7(12-13)8(9,10)11/h4-5H,1-3H3/p+1
InChIKeyREBSMYOUWCHBEY-UHFFFAOYSA-O
MW193.19 g/mol
LogP2.21
Rot. Bonds1

About 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium

3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium (PubChem CID 59826476) has the molecular formula C8H12F3N2+ and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium
PubChem CID59826476
Molecular FormulaC8H12F3N2+
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium
SMILESCc1cc(C(F)(F)F)[nH][n+]1C(C)C
InChIInChI=1S/C8H11F3N2/c1-5(2)13-6(3)4-7(12-13)8(9,10)11/h4-5H,1-3H3/p+1
InChIKeyREBSMYOUWCHBEY-UHFFFAOYSA-O
XLogP2.21
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
2-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 3160221
2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-amine
CID 16640649
1-(Difluoromethyl)-3,5-dimethylpyrazole
CID 2060834
1-Methyl-3,5-bis(trifluoro-methyl)-1h-pyrazole
CID 20798616
1-Ethyl-3,5-dimethyl-1H-pyrazole
CID 565993
Diethyl-(5-trifluoromethyl-1H-pyrazol-3-ylmethyl)-amine
CID 11138670

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium?
The IUPAC name of 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium (CID 59826476) is 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium.
What is the SMILES notation for 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium?
The canonical SMILES for 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium is Cc1cc(C(F)(F)F)[nH][n+]1C(C)C.
What is the InChIKey of 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium?
The InChIKey is REBSMYOUWCHBEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11F3N2/c1-5(2)13-6(3)4-7(12-13)8(9,10)11/h4-5H,1-3H3/p+1.
What are the key properties of 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium?
3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium has a molecular weight of 193.19 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium is sourced from PubChem (CID 59826476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).