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

C11H11FN2O — CID 78941264

IUPAC(1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
SMILESC[C@H](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/t8-/m0/s1
InChIKeyORNJAZNBTXRTHF-QMMMGPOBSA-N
MW206.22 g/mol
LogP2.06
Rot. Bonds2

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

(1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol (PubChem CID 78941264) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
PubChem CID78941264
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name(1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol
SMILESC[C@H](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/t8-/m0/s1
InChIKeyORNJAZNBTXRTHF-QMMMGPOBSA-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 (1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol?
The IUPAC name of (1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol (CID 78941264) is (1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol is C[C@H](O)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of (1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol?
The InChIKey is ORNJAZNBTXRTHF-QMMMGPOBSA-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/t8-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol?
(1S)-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 (1S)-1-(3-fluoro-4-pyrazol-1-ylphenyl)ethanol is sourced from PubChem (CID 78941264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).