1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone

C14H20F2N2O — CID 114225638

IUPAC1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone
SMILESCCc1cc(C(=O)CC2CCC(F)(F)C2)n(CC)n1
InChIInChI=1S/C14H20F2N2O/c1-3-11-8-12(18(4-2)17-11)13(19)7-10-5-6-14(15,16)9-10/h8,10H,3-7,9H2,1-2H3
InChIKeyDABYHVOFRMKNHY-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.47
Rot. Bonds5

About 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone

1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone (PubChem CID 114225638) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone
PubChem CID114225638
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone
SMILESCCc1cc(C(=O)CC2CCC(F)(F)C2)n(CC)n1
InChIInChI=1S/C14H20F2N2O/c1-3-11-8-12(18(4-2)17-11)13(19)7-10-5-6-14(15,16)9-10/h8,10H,3-7,9H2,1-2H3
InChIKeyDABYHVOFRMKNHY-UHFFFAOYSA-N
XLogP3.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone (CID 114225638) is 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone is CCc1cc(C(=O)CC2CCC(F)(F)C2)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone?
The InChIKey is DABYHVOFRMKNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-3-11-8-12(18(4-2)17-11)13(19)7-10-5-6-14(15,16)9-10/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone?
1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone has a molecular weight of 270.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-2-(3,3-difluorocyclopentyl)ethanone is sourced from PubChem (CID 114225638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).