1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one

C14H19F3N2O — CID 79954068

IUPAC1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)8-6-13(20)10-11-7-9-19(18-11)12-4-2-1-3-5-12/h7,9,12H,1-6,8,10H2
InChIKeyCQMKFEVTQUQIML-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.84
Rot. Bonds5

About 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one

1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one (PubChem CID 79954068) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
PubChem CID79954068
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one
SMILESO=C(CCC(F)(F)F)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H19F3N2O/c15-14(16,17)8-6-13(20)10-11-7-9-19(18-11)12-4-2-1-3-5-12/h7,9,12H,1-6,8,10H2
InChIKeyCQMKFEVTQUQIML-UHFFFAOYSA-N
XLogP3.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one (CID 79954068) is 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one is O=C(CCC(F)(F)F)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one?
The InChIKey is CQMKFEVTQUQIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c15-14(16,17)8-6-13(20)10-11-7-9-19(18-11)12-4-2-1-3-5-12/h7,9,12H,1-6,8,10H2.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one?
1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one has a molecular weight of 288.31 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 79954068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).