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

C9H13F3N2O — CID 118357737

IUPAC4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCOCc1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-3-14-5-7(6-15-4-2)8(13-14)9(10,11)12/h5H,3-4,6H2,1-2H3
InChIKeyGMKBUYBZDPGBAC-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.46
Rot. Bonds4

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

4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole (PubChem CID 118357737) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
PubChem CID118357737
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole
SMILESCCOCc1cn(CC)nc1C(F)(F)F
InChIInChI=1S/C9H13F3N2O/c1-3-14-5-7(6-15-4-2)8(13-14)9(10,11)12/h5H,3-4,6H2,1-2H3
InChIKeyGMKBUYBZDPGBAC-UHFFFAOYSA-N
XLogP2.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole (CID 118357737) is 4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole is CCOCc1cn(CC)nc1C(F)(F)F.
What is the InChIKey of 4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole?
The InChIKey is GMKBUYBZDPGBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-3-14-5-7(6-15-4-2)8(13-14)9(10,11)12/h5H,3-4,6H2,1-2H3.
What are the key properties of 4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole?
4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole has a molecular weight of 222.21 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1-ethyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 118357737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).