4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole

C8H9F3N2 — CID 22380990

IUPAC4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESC=Cc1c(C(F)(F)F)nn(C)c1C
InChIInChI=1S/C8H9F3N2/c1-4-6-5(2)13(3)12-7(6)8(9,10)11/h4H,1H2,2-3H3
InChIKeyMYKVWNVYNIRFFL-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.39
Rot. Bonds1

About 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole

4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 22380990) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID22380990
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole
SMILESC=Cc1c(C(F)(F)F)nn(C)c1C
InChIInChI=1S/C8H9F3N2/c1-4-6-5(2)13(3)12-7(6)8(9,10)11/h4H,1H2,2-3H3
InChIKeyMYKVWNVYNIRFFL-UHFFFAOYSA-N
XLogP2.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)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-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole (CID 22380990) is 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole is C=Cc1c(C(F)(F)F)nn(C)c1C.
What is the InChIKey of 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is MYKVWNVYNIRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-4-6-5(2)13(3)12-7(6)8(9,10)11/h4H,1H2,2-3H3.
What are the key properties of 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole?
4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 190.17 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,5-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 22380990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).