1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole

C7H7F3N2O — CID 126752667

IUPAC1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C2COC2)n1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-1-2-12(11-6)5-3-13-4-5/h1-2,5H,3-4H2
InChIKeyGHVUSUQULJLPOV-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.47
Rot. Bonds1

About 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole

1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 126752667) has the molecular formula C7H7F3N2O and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole
PubChem CID126752667
Molecular FormulaC7H7F3N2O
Molecular Weight192.14 g/mol
Exact Mass192.05
IUPAC Name1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1ccn(C2COC2)n1
InChIInChI=1S/C7H7F3N2O/c8-7(9,10)6-1-2-12(11-6)5-3-13-4-5/h1-2,5H,3-4H2
InChIKeyGHVUSUQULJLPOV-UHFFFAOYSA-N
XLogP1.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole (CID 126752667) is 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole is FC(F)(F)c1ccn(C2COC2)n1.
What is the InChIKey of 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is GHVUSUQULJLPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O/c8-7(9,10)6-1-2-12(11-6)5-3-13-4-5/h1-2,5H,3-4H2.
What are the key properties of 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole?
1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 192.14 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 126752667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).