3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one

C12H15F3N2O — CID 168907362

IUPAC3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one
SMILESCC(C)n1nc(C(F)(F)F)cc1C1CCC(=O)C1
InChIInChI=1S/C12H15F3N2O/c1-7(2)17-10(8-3-4-9(18)5-8)6-11(16-17)12(13,14)15/h6-8H,3-5H2,1-2H3
InChIKeyQVSJKWIMISRMNG-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.32
Rot. Bonds2

About 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one

3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one (PubChem CID 168907362) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one
PubChem CID168907362
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one
SMILESCC(C)n1nc(C(F)(F)F)cc1C1CCC(=O)C1
InChIInChI=1S/C12H15F3N2O/c1-7(2)17-10(8-3-4-9(18)5-8)6-11(16-17)12(13,14)15/h6-8H,3-5H2,1-2H3
InChIKeyQVSJKWIMISRMNG-UHFFFAOYSA-N
XLogP3.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-one
CID 103024362
1-(4,4-Difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024404
(1R,5S,6R)-6-(3-iodo-1-isopropyl-1H-pyrazol-5-yl)bicyclo[3.1.0]hexan-3-one
CID 118161707
1-[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanone
CID 18466677
1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-one
CID 57742251
1-[3-Propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one
CID 58242738
5-Cyclopentyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 71204366
5-Cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 83382254
5-Cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
CID 90162078
3-(1,1-Difluoroethyl)-1-propan-2-yl-4,6-dihydrocyclopenta[c]pyrazol-5-one
CID 90162123
1-Propan-2-yl-3-(trifluoromethyl)-4,6-dihydrocyclopenta[c]pyrazol-5-one
CID 90162767
1-[3-(Fluoromethyl)-1-methylpyrazol-5-yl]propan-2-one
CID 118444806

Frequently Asked Questions

What is the IUPAC name of 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one?
The IUPAC name of 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one (CID 168907362) is 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one.
What is the SMILES notation for 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one?
The canonical SMILES for 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one is CC(C)n1nc(C(F)(F)F)cc1C1CCC(=O)C1.
What is the InChIKey of 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one?
The InChIKey is QVSJKWIMISRMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7(2)17-10(8-3-4-9(18)5-8)6-11(16-17)12(13,14)15/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one?
3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one has a molecular weight of 260.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]cyclopentan-1-one is sourced from PubChem (CID 168907362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).