2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone

C16H22F2N2O — CID 105107293

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N2O/c17-16(18)8-5-12(6-9-16)15(21)11-13-7-10-20(19-13)14-3-1-2-4-14/h7,10,12,14H,1-6,8-9,11H2
InChIKeyFFZTWLSTIQJDOB-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.94
Rot. Bonds4

About 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone

2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone (PubChem CID 105107293) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone
PubChem CID105107293
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone
SMILESO=C(Cc1ccn(C2CCCC2)n1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2N2O/c17-16(18)8-5-12(6-9-16)15(21)11-13-7-10-20(19-13)14-3-1-2-4-14/h7,10,12,14H,1-6,8-9,11H2
InChIKeyFFZTWLSTIQJDOB-UHFFFAOYSA-N
XLogP3.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone (CID 105107293) is 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone is O=C(Cc1ccn(C2CCCC2)n1)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone?
The InChIKey is FFZTWLSTIQJDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-16(18)8-5-12(6-9-16)15(21)11-13-7-10-20(19-13)14-3-1-2-4-14/h7,10,12,14H,1-6,8-9,11H2.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone?
2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone has a molecular weight of 296.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(4,4-difluorocyclohexyl)ethanone is sourced from PubChem (CID 105107293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).