5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole

C7H9F3N2O — CID 71551962

IUPAC5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCCOCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H9F3N2O/c1-2-13-4-5-3-6(12-11-5)7(8,9)10/h3H,2,4H2,1H3,(H,11,12)
InChIKeyVAXKZDQSLFNWOH-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.97
Rot. Bonds3

About 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole

5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 71551962) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
PubChem CID71551962
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole
SMILESCCOCc1cc(C(F)(F)F)n[nH]1
InChIInChI=1S/C7H9F3N2O/c1-2-13-4-5-3-6(12-11-5)7(8,9)10/h3H,2,4H2,1H3,(H,11,12)
InChIKeyVAXKZDQSLFNWOH-UHFFFAOYSA-N
XLogP1.97
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole (CID 71551962) is 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole is CCOCc1cc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is VAXKZDQSLFNWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-2-13-4-5-3-6(12-11-5)7(8,9)10/h3H,2,4H2,1H3,(H,11,12).
What are the key properties of 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole?
5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethyl)-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 71551962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).