1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole

C8H11F3N2O — CID 118357668

IUPAC1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1COC
InChIInChI=1S/C8H11F3N2O/c1-3-13-6(5-14-2)4-7(12-13)8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyUZHSFXZBIYWPDU-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.07
Rot. Bonds3

About 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole

1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 118357668) has the molecular formula C8H11F3N2O and a molecular weight of 208.18 g/mol. Its IUPAC name is 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole
PubChem CID118357668
Molecular FormulaC8H11F3N2O
Molecular Weight208.18 g/mol
Exact Mass208.08
IUPAC Name1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)cc1COC
InChIInChI=1S/C8H11F3N2O/c1-3-13-6(5-14-2)4-7(12-13)8(9,10)11/h4H,3,5H2,1-2H3
InChIKeyUZHSFXZBIYWPDU-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole (CID 118357668) is 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)cc1COC.
What is the InChIKey of 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is UZHSFXZBIYWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O/c1-3-13-6(5-14-2)4-7(12-13)8(9,10)11/h4H,3,5H2,1-2H3.
What are the key properties of 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole?
1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 208.18 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(methoxymethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118357668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).