4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole

C7H9F3N2O — CID 162572387

IUPAC4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-13-3-2-5-4-11-12-6(5)7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyVFYYIUIUULGQHN-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.62
Rot. Bonds3

About 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole

4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 162572387) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID162572387
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESCOCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-13-3-2-5-4-11-12-6(5)7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyVFYYIUIUULGQHN-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole (CID 162572387) is 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole is COCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is VFYYIUIUULGQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-13-3-2-5-4-11-12-6(5)7(8,9)10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 162572387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).