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2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol

C7H11FN2O — CID 84731445

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol
SMILESCC(F)c1cnn(CCO)c1
InChIInChI=1S/C7H11FN2O/c1-6(8)7-4-9-10(5-7)2-3-11/h4-6,11H,2-3H2,1H3
InChIKeyNFYPVFFOHYWMCL-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.91
Rot. Bonds3

About 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol

2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol (PubChem CID 84731445) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol
PubChem CID84731445
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol
SMILESCC(F)c1cnn(CCO)c1
InChIInChI=1S/C7H11FN2O/c1-6(8)7-4-9-10(5-7)2-3-11/h4-6,11H,2-3H2,1H3
InChIKeyNFYPVFFOHYWMCL-UHFFFAOYSA-N
XLogP0.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol (CID 84731445) is 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol is CC(F)c1cnn(CCO)c1.
What is the InChIKey of 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol?
The InChIKey is NFYPVFFOHYWMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-6(8)7-4-9-10(5-7)2-3-11/h4-6,11H,2-3H2,1H3.
What are the key properties of 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol?
2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol has a molecular weight of 158.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-fluoroethyl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 84731445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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