1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol

C11H11FN2O — CID 43506232

IUPAC1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
SMILESCC(O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C11H11FN2O/c1-8(15)9-3-4-11(10(12)7-9)14-6-2-5-13-14/h2-8,15H,1H3
InChIKeyORNJAZNBTXRTHF-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.06
Rot. Bonds2

About 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol

1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol (PubChem CID 43506232) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
PubChem CID43506232
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
SMILESCC(O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C11H11FN2O/c1-8(15)9-3-4-11(10(12)7-9)14-6-2-5-13-14/h2-8,15H,1H3
InChIKeyORNJAZNBTXRTHF-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-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol?
The IUPAC name of 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol (CID 43506232) is 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol.
What is the SMILES notation for 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol?
The canonical SMILES for 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol is CC(O)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol?
The InChIKey is ORNJAZNBTXRTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-8(15)9-3-4-11(10(12)7-9)14-6-2-5-13-14/h2-8,15H,1H3.
What are the key properties of 1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol?
1-(3-fluoro-4-pyrazol-1-ylphenyl)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-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol is sourced from PubChem (CID 43506232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).