5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole

C7H6F6N2 — CID 14770653

IUPAC5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1CC(F)(F)F
InChIInChI=1S/C7H6F6N2/c1-4-2-5(7(11,12)13)14-15(4)3-6(8,9)10/h2H,3H2,1H3
InChIKeyYBUCXCNYXIPWGH-UHFFFAOYSA-N
MW232.13 g/mol
LogP2.77
Rot. Bonds1

About 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole

5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 14770653) has the molecular formula C7H6F6N2 and a molecular weight of 232.13 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole
PubChem CID14770653
Molecular FormulaC7H6F6N2
Molecular Weight232.13 g/mol
Exact Mass232.04
IUPAC Name5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1CC(F)(F)F
InChIInChI=1S/C7H6F6N2/c1-4-2-5(7(11,12)13)14-15(4)3-6(8,9)10/h2H,3H2,1H3
InChIKeyYBUCXCNYXIPWGH-UHFFFAOYSA-N
XLogP2.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 96393
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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
1,3,5-Trimethylpyrazole
CID 14081
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889
1H-Pyrazole, 5-fluoro-1,3-dimethyl-
CID 66974728
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole (CID 14770653) is 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1CC(F)(F)F.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is YBUCXCNYXIPWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N2/c1-4-2-5(7(11,12)13)14-15(4)3-6(8,9)10/h2H,3H2,1H3.
What are the key properties of 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole?
5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 232.13 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 14770653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).