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

C8H9F3N2O — CID 122633586

IUPAC5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C1COC1
InChIInChI=1S/C8H9F3N2O/c1-5-2-7(8(9,10)11)12-13(5)6-3-14-4-6/h2,6H,3-4H2,1H3
InChIKeySIQZQULZFONDLX-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.78
Rot. Bonds1

About 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole

5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 122633586) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole
PubChem CID122633586
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1C1COC1
InChIInChI=1S/C8H9F3N2O/c1-5-2-7(8(9,10)11)12-13(5)6-3-14-4-6/h2,6H,3-4H2,1H3
InChIKeySIQZQULZFONDLX-UHFFFAOYSA-N
XLogP1.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole (CID 122633586) is 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1C1COC1.
What is the InChIKey of 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is SIQZQULZFONDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-2-7(8(9,10)11)12-13(5)6-3-14-4-6/h2,6H,3-4H2,1H3.
What are the key properties of 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole?
5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 206.17 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxetan-3-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 122633586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).