4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane

C9H15F3N2 — CID 169218060

IUPAC4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
SMILESCC.Cc1cnn(CC(F)(F)F)c1C
InChIInChI=1S/C7H9F3N2.C2H6/c1-5-3-11-12(6(5)2)4-7(8,9)10;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyJFKWAUMIIKZSAY-UHFFFAOYSA-N
MW208.23 g/mol
LogP3.09
Rot. Bonds1

About 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane

4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane (PubChem CID 169218060) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
PubChem CID169218060
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
SMILESCC.Cc1cnn(CC(F)(F)F)c1C
InChIInChI=1S/C7H9F3N2.C2H6/c1-5-3-11-12(6(5)2)4-7(8,9)10;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyJFKWAUMIIKZSAY-UHFFFAOYSA-N
XLogP3.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157500
5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 170379612
(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544188
2-(4,5-dimethylpyrazol-1-yl)ethanol
CID 58514590
4,5-ditert-butyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 154613482
4-[(4,5-dimethylpyrazol-1-yl)methyl]-4-ethylheptanoic acid;ethane
CID 167519820
(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol
CID 129088824
1,4-dimethyl-5-(2,2,2-trifluoroethyl)pyrazole
CID 155594891
3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-ol
CID 131141477
ethane;1-ethyl-5-fluoro-4-methylpyrazole
CID 169218374
1-(1,1-difluoroethyl)-4,5-dimethylpyrazole
CID 176710911
3-[4-methyl-5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-3-yl]pyridine
CID 67959082

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane?
The IUPAC name of 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane (CID 169218060) is 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane.
What is the SMILES notation for 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane?
The canonical SMILES for 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane is CC.Cc1cnn(CC(F)(F)F)c1C.
What is the InChIKey of 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane?
The InChIKey is JFKWAUMIIKZSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2.C2H6/c1-5-3-11-12(6(5)2)4-7(8,9)10;1-2/h3H,4H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane?
4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane has a molecular weight of 208.23 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane is sourced from PubChem (CID 169218060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).