4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole

C8H11F3N2O — CID 90167825

IUPAC4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCOCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-3-14-5-6-4-13(2)12-7(6)8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyHDULTGDUZVECEL-UHFFFAOYSA-N
MW208.18 g/mol
LogP1.98
Rot. Bonds3

About 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole

4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 90167825) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID90167825
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCCOCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C8H11F3N2O/c1-3-14-5-6-4-13(2)12-7(6)8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyHDULTGDUZVECEL-UHFFFAOYSA-N
XLogP1.98
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 90167825) is 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole is CCOCc1cn(C)nc1C(F)(F)F.
What is the InChIKey of 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is HDULTGDUZVECEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-14-5-6-4-13(2)12-7(6)8(9,10)11/h4H,3,5H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90167825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).