2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one

C11H13F3N2O — CID 79569630

IUPAC2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10-5-7-16(15-10)6-4-8-2-1-3-9(8)17/h5,7-8H,1-4,6H2
InChIKeyWQXORGNOZHQUSL-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.66
Rot. Bonds3

About 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one

2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one (PubChem CID 79569630) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one
PubChem CID79569630
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one
SMILESO=C1CCCC1CCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)10-5-7-16(15-10)6-4-8-2-1-3-9(8)17/h5,7-8H,1-4,6H2
InChIKeyWQXORGNOZHQUSL-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one (CID 79569630) is 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one is O=C1CCCC1CCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one?
The InChIKey is WQXORGNOZHQUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)10-5-7-16(15-10)6-4-8-2-1-3-9(8)17/h5,7-8H,1-4,6H2.
What are the key properties of 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one?
2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one has a molecular weight of 246.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentan-1-one is sourced from PubChem (CID 79569630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).