1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol

C11H11FN2O — CID 167039828

IUPAC1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol
SMILESCC(O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2O/c1-8(15)11-6-7-14(13-11)10-4-2-9(12)3-5-10/h2-8,15H,1H3
InChIKeyGDGMFLVERNOPCX-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.06
Rot. Bonds2

About 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol

1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol (PubChem CID 167039828) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol
PubChem CID167039828
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol
SMILESCC(O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H11FN2O/c1-8(15)11-6-7-14(13-11)10-4-2-9(12)3-5-10/h2-8,15H,1H3
InChIKeyGDGMFLVERNOPCX-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol (CID 167039828) is 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol is CC(O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol?
The InChIKey is GDGMFLVERNOPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8(15)11-6-7-14(13-11)10-4-2-9(12)3-5-10/h2-8,15H,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol?
1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol has a molecular weight of 206.22 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 167039828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).