3-(4-fluoropyrazol-1-yl)phenol

C9H7FN2O — CID 175700478

IUPAC3-(4-fluoropyrazol-1-yl)phenol
SMILESOc1cccc(-n2cc(F)cn2)c1
InChIInChI=1S/C9H7FN2O/c10-7-5-11-12(6-7)8-2-1-3-9(13)4-8/h1-6,13H
InChIKeyDUTHDPUEOUMHNW-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.72
Rot. Bonds1

About 3-(4-fluoropyrazol-1-yl)phenol

3-(4-fluoropyrazol-1-yl)phenol (PubChem CID 175700478) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 3-(4-fluoropyrazol-1-yl)phenol.

Molecular Properties

Compound Name3-(4-fluoropyrazol-1-yl)phenol
PubChem CID175700478
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name3-(4-fluoropyrazol-1-yl)phenol
SMILESOc1cccc(-n2cc(F)cn2)c1
InChIInChI=1S/C9H7FN2O/c10-7-5-11-12(6-7)8-2-1-3-9(13)4-8/h1-6,13H
InChIKeyDUTHDPUEOUMHNW-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-(4-fluoropyrazol-1-yl)phenol?
The IUPAC name of 3-(4-fluoropyrazol-1-yl)phenol (CID 175700478) is 3-(4-fluoropyrazol-1-yl)phenol.
What is the SMILES notation for 3-(4-fluoropyrazol-1-yl)phenol?
The canonical SMILES for 3-(4-fluoropyrazol-1-yl)phenol is Oc1cccc(-n2cc(F)cn2)c1.
What is the InChIKey of 3-(4-fluoropyrazol-1-yl)phenol?
The InChIKey is DUTHDPUEOUMHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-7-5-11-12(6-7)8-2-1-3-9(13)4-8/h1-6,13H.
What are the key properties of 3-(4-fluoropyrazol-1-yl)phenol?
3-(4-fluoropyrazol-1-yl)phenol 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-(4-fluoropyrazol-1-yl)phenol is sourced from PubChem (CID 175700478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).