2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol

C12H18F2N2O — CID 114225888

IUPAC2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)CC2CCC(F)(F)C2)n(C)n1
InChIInChI=1S/C12H18F2N2O/c1-8-5-10(16(2)15-8)11(17)6-9-3-4-12(13,14)7-9/h5,9,11,17H,3-4,6-7H2,1-2H3
InChIKeyWZPAWNISBXVPCH-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.59
Rot. Bonds3

About 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol

2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (PubChem CID 114225888) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
PubChem CID114225888
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
SMILESCc1cc(C(O)CC2CCC(F)(F)C2)n(C)n1
InChIInChI=1S/C12H18F2N2O/c1-8-5-10(16(2)15-8)11(17)6-9-3-4-12(13,14)7-9/h5,9,11,17H,3-4,6-7H2,1-2H3
InChIKeyWZPAWNISBXVPCH-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol (CID 114225888) is 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is Cc1cc(C(O)CC2CCC(F)(F)C2)n(C)n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
The InChIKey is WZPAWNISBXVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-8-5-10(16(2)15-8)11(17)6-9-3-4-12(13,14)7-9/h5,9,11,17H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol?
2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol has a molecular weight of 244.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol is sourced from PubChem (CID 114225888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).