3-fluoro-4-pyrazol-1-ylphenol

C9H7FN2O — CID 84656322

IUPAC3-fluoro-4-pyrazol-1-ylphenol
SMILESOc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H7FN2O/c10-8-6-7(13)2-3-9(8)12-5-1-4-11-12/h1-6,13H
InChIKeyFVTVRTYAPZYYIN-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.72
Rot. Bonds1

About 3-fluoro-4-pyrazol-1-ylphenol

3-fluoro-4-pyrazol-1-ylphenol (PubChem CID 84656322) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 3-fluoro-4-pyrazol-1-ylphenol.

Molecular Properties

Compound Name3-fluoro-4-pyrazol-1-ylphenol
PubChem CID84656322
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name3-fluoro-4-pyrazol-1-ylphenol
SMILESOc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C9H7FN2O/c10-8-6-7(13)2-3-9(8)12-5-1-4-11-12/h1-6,13H
InChIKeyFVTVRTYAPZYYIN-UHFFFAOYSA-N
XLogP1.72
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-pyrazol-1-ylphenol?
The IUPAC name of 3-fluoro-4-pyrazol-1-ylphenol (CID 84656322) is 3-fluoro-4-pyrazol-1-ylphenol.
What is the SMILES notation for 3-fluoro-4-pyrazol-1-ylphenol?
The canonical SMILES for 3-fluoro-4-pyrazol-1-ylphenol is Oc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-pyrazol-1-ylphenol?
The InChIKey is FVTVRTYAPZYYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-8-6-7(13)2-3-9(8)12-5-1-4-11-12/h1-6,13H.
What are the key properties of 3-fluoro-4-pyrazol-1-ylphenol?
3-fluoro-4-pyrazol-1-ylphenol has a molecular weight of 178.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-pyrazol-1-ylphenol is sourced from PubChem (CID 84656322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).