5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole

C8H9F3N2O — CID 155254385

IUPAC5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole
SMILESFC(F)(F)OC1CC(c2ccn[nH]2)C1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)14-6-3-5(4-6)7-1-2-12-13-7/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeySTBBTXMXOKNBQL-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.19
Rot. Bonds2

About 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole

5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole (PubChem CID 155254385) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole
PubChem CID155254385
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole
SMILESFC(F)(F)OC1CC(c2ccn[nH]2)C1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)14-6-3-5(4-6)7-1-2-12-13-7/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeySTBBTXMXOKNBQL-UHFFFAOYSA-N
XLogP2.19
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole?
The IUPAC name of 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole (CID 155254385) is 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole.
What is the SMILES notation for 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole?
The canonical SMILES for 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole is FC(F)(F)OC1CC(c2ccn[nH]2)C1.
What is the InChIKey of 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole?
The InChIKey is STBBTXMXOKNBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)14-6-3-5(4-6)7-1-2-12-13-7/h1-2,5-6H,3-4H2,(H,12,13).
What are the key properties of 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole?
5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole has a molecular weight of 206.17 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethoxy)cyclobutyl]-1H-pyrazole is sourced from PubChem (CID 155254385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).