1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole

C14H20F2N2O — CID 123910824

IUPAC1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole
SMILESCCc1cc(C2CCOC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C14H20F2N2O/c1-2-11-7-13(10-4-6-19-9-10)18(17-11)12-3-5-14(15,16)8-12/h7,10,12H,2-6,8-9H2,1H3
InChIKeyPEWZFNCSCMIETI-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.31
Rot. Bonds3

About 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole

1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole (PubChem CID 123910824) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole.

Molecular Properties

Compound Name1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole
PubChem CID123910824
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole
SMILESCCc1cc(C2CCOC2)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C14H20F2N2O/c1-2-11-7-13(10-4-6-19-9-10)18(17-11)12-3-5-14(15,16)8-12/h7,10,12H,2-6,8-9H2,1H3
InChIKeyPEWZFNCSCMIETI-UHFFFAOYSA-N
XLogP3.31
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,3-difluorocyclopentyl)-3-iodo-5-(tetrahydrofuran-3-yl)-1H-pyrazole
CID 90286610
1-(3,3-difluorocyclobutyl)-3-iodo-5-(tetrahydrofuran-3-yl)-1H-pyrazole
CID 90286684
1-(3,3-Difluorocyclobutyl)-3-ethyl-5-(oxolan-3-yl)pyrazole
CID 123619943
3-Ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole
CID 123703137
1-(3,3-Difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole
CID 134316874
1-(3,3-Difluorocyclobutyl)-3-methyl-5-(oxolan-3-yl)pyrazole
CID 134316932
1-[2-(Oxan-4-yl)ethyl]-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 134331560
5-Ethyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 134331615
1-(Oxan-4-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 134331623
1-(3,3-Difluorocyclobutyl)-5-(oxolan-3-yl)pyrazole
CID 141405123
1-(3,3-Difluorocyclopentyl)-5-(oxolan-3-yl)pyrazole
CID 141405152
1-(3,3-Difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole;ethane
CID 144669773

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole?
The IUPAC name of 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole (CID 123910824) is 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole.
What is the SMILES notation for 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole?
The canonical SMILES for 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole is CCc1cc(C2CCOC2)n(C2CCC(F)(F)C2)n1.
What is the InChIKey of 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole?
The InChIKey is PEWZFNCSCMIETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-2-11-7-13(10-4-6-19-9-10)18(17-11)12-3-5-14(15,16)8-12/h7,10,12H,2-6,8-9H2,1H3.
What are the key properties of 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole?
1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole has a molecular weight of 270.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclopentyl)-3-ethyl-5-(oxolan-3-yl)pyrazole is sourced from PubChem (CID 123910824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).