4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole

C7H8F4N2 — CID 141179063

IUPAC4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1nn(CC(F)(F)F)c(C)c1F
InChIInChI=1S/C7H8F4N2/c1-4-6(8)5(2)13(12-4)3-7(9,10)11/h3H2,1-2H3
InChIKeyHGFWWGWZIBLJBT-UHFFFAOYSA-N
MW196.15 g/mol
LogP2.20
Rot. Bonds1

About 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole

4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 141179063) has the molecular formula C7H8F4N2 and a molecular weight of 196.15 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID141179063
Molecular FormulaC7H8F4N2
Molecular Weight196.15 g/mol
Exact Mass196.06
IUPAC Name4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1nn(CC(F)(F)F)c(C)c1F
InChIInChI=1S/C7H8F4N2/c1-4-6(8)5(2)13(12-4)3-7(9,10)11/h3H2,1-2H3
InChIKeyHGFWWGWZIBLJBT-UHFFFAOYSA-N
XLogP2.20
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 141179063) is 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole is Cc1nn(CC(F)(F)F)c(C)c1F.
What is the InChIKey of 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is HGFWWGWZIBLJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N2/c1-4-6(8)5(2)13(12-4)3-7(9,10)11/h3H2,1-2H3.
What are the key properties of 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole?
4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 196.15 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 141179063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).