4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one

C12H15F3N2O — CID 168907150

IUPAC4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one
SMILESCCn1nc(C2CCC(=O)CC2)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-2-17-11(12(13,14)15)7-10(16-17)8-3-5-9(18)6-4-8/h7-8H,2-6H2,1H3
InChIKeyHBSPVYCHDUNNPG-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.15
Rot. Bonds2

About 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one

4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one (PubChem CID 168907150) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one
PubChem CID168907150
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one
SMILESCCn1nc(C2CCC(=O)CC2)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-2-17-11(12(13,14)15)7-10(16-17)8-3-5-9(18)6-4-8/h7-8H,2-6H2,1H3
InChIKeyHBSPVYCHDUNNPG-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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-[4-(1,3-Diethylpyrazol-5-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 23557459
1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-one
CID 57742251
1-[5-Ethyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
CID 57742259
1-[3-Propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one
CID 58242738
1-[3-Tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]propan-2-one
CID 58242740
1-[5-Tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
CID 58242742
5-Cyclohexyl-1-methyl-3-(trifluoromethyl)pyrazole
CID 83382476
1-propan-2-yl-3-(trifluoromethyl)-6,7-dihydro-4H-indazol-5-one
CID 90162201
1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one
CID 90162774
1-ethyl-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one
CID 118357717

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one?
The IUPAC name of 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one (CID 168907150) is 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one?
The canonical SMILES for 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one is CCn1nc(C2CCC(=O)CC2)cc1C(F)(F)F.
What is the InChIKey of 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one?
The InChIKey is HBSPVYCHDUNNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-2-17-11(12(13,14)15)7-10(16-17)8-3-5-9(18)6-4-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one?
4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one has a molecular weight of 260.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]cyclohexan-1-one is sourced from PubChem (CID 168907150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).