5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole

C8H11F3N2O — CID 122170871

IUPAC5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCOCc1ccnn1CC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-14-5-7-3-4-12-13(7)6-8(9,10)11/h3-4H,2,5-6H2,1H3
InChIKeyUEZJCEBHNZFIGW-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.98
Rot. Bonds4

About 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole

5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 122170871) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID122170871
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCCOCc1ccnn1CC(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-2-14-5-7-3-4-12-13(7)6-8(9,10)11/h3-4H,2,5-6H2,1H3
InChIKeyUEZJCEBHNZFIGW-UHFFFAOYSA-N
XLogP1.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(ethoxymethyl)-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 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 122170871) is 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole is CCOCc1ccnn1CC(F)(F)F.
What is the InChIKey of 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is UEZJCEBHNZFIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-2-14-5-7-3-4-12-13(7)6-8(9,10)11/h3-4H,2,5-6H2,1H3.
What are the key properties of 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 122170871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).