4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole

C8H9F3N2 — CID 118357782

IUPAC4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESC=Cc1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-3-6-5-13(4-2)12-7(6)8(9,10)11/h3,5H,1,4H2,2H3
InChIKeyQWTVDQDLZCFXPP-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.56
Rot. Bonds2

About 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole

4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole (PubChem CID 118357782) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole
PubChem CID118357782
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESC=Cc1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-3-6-5-13(4-2)12-7(6)8(9,10)11/h3,5H,1,4H2,2H3
InChIKeyQWTVDQDLZCFXPP-UHFFFAOYSA-N
XLogP2.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole (CID 118357782) is 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole is C=Cc1cn(CC)nc1C(F)(F)F.
What is the InChIKey of 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is QWTVDQDLZCFXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-3-6-5-13(4-2)12-7(6)8(9,10)11/h3,5H,1,4H2,2H3.
What are the key properties of 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole?
4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 190.17 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-ethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118357782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).