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

C8H11F3N2O — CID 70865791

IUPAC5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCCOc1c(C)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H11F3N2O/c1-4-14-7-5(2)6(8(9,10)11)12-13(7)3/h4H2,1-3H3
InChIKeyXBZCKOXFJBMZSV-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.15
Rot. Bonds2

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

5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole (PubChem CID 70865791) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole
PubChem CID70865791
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole
SMILESCCOc1c(C)c(C(F)(F)F)nn1C
InChIInChI=1S/C8H11F3N2O/c1-4-14-7-5(2)6(8(9,10)11)12-13(7)3/h4H2,1-3H3
InChIKeyXBZCKOXFJBMZSV-UHFFFAOYSA-N
XLogP2.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole (CID 70865791) is 5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole is CCOc1c(C)c(C(F)(F)F)nn1C.
What is the InChIKey of 5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is XBZCKOXFJBMZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-4-14-7-5(2)6(8(9,10)11)12-13(7)3/h4H2,1-3H3.
What are the key properties of 5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole?
5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,4-dimethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70865791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).