5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole

C9H11F3N2O — CID 134398526

IUPAC5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole
SMILESFC(F)(F)C1(COc2ccn[nH]2)CCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(3-1-4-8)6-15-7-2-5-13-14-7/h2,5H,1,3-4,6H2,(H,13,14)
InChIKeyILGZWWSSKRPYKG-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.52
Rot. Bonds3

About 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole

5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole (PubChem CID 134398526) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole
PubChem CID134398526
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole
SMILESFC(F)(F)C1(COc2ccn[nH]2)CCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(3-1-4-8)6-15-7-2-5-13-14-7/h2,5H,1,3-4,6H2,(H,13,14)
InChIKeyILGZWWSSKRPYKG-UHFFFAOYSA-N
XLogP2.52
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole?
The IUPAC name of 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole (CID 134398526) is 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole.
What is the SMILES notation for 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole?
The canonical SMILES for 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole is FC(F)(F)C1(COc2ccn[nH]2)CCC1.
What is the InChIKey of 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole?
The InChIKey is ILGZWWSSKRPYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8(3-1-4-8)6-15-7-2-5-13-14-7/h2,5H,1,3-4,6H2,(H,13,14).
What are the key properties of 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole?
5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole has a molecular weight of 220.19 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)cyclobutyl]methoxy]-1H-pyrazole is sourced from PubChem (CID 134398526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).