4-fluoro-2-(1H-pyrazol-5-yl)phenol

C9H7FN2O — CID 5068606

IUPAC4-fluoro-2-(1H-pyrazol-5-yl)phenol
SMILESOc1ccc(F)cc1-c1ccn[nH]1
InChIInChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChIKeyQKAHKTLLEHWJPY-UHFFFAOYSA-N
MW178.17 g/mol
LogP1.92
Rot. Bonds1

About 4-fluoro-2-(1H-pyrazol-5-yl)phenol

4-fluoro-2-(1H-pyrazol-5-yl)phenol (PubChem CID 5068606) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 4-fluoro-2-(1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(1H-pyrazol-5-yl)phenol
PubChem CID5068606
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name4-fluoro-2-(1H-pyrazol-5-yl)phenol
SMILESOc1ccc(F)cc1-c1ccn[nH]1
InChIInChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChIKeyQKAHKTLLEHWJPY-UHFFFAOYSA-N
XLogP1.92
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-2-(1H-pyrazol-5-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1H-pyrazol-5-yl)phenol?
The IUPAC name of 4-fluoro-2-(1H-pyrazol-5-yl)phenol (CID 5068606) is 4-fluoro-2-(1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(1H-pyrazol-5-yl)phenol?
The canonical SMILES for 4-fluoro-2-(1H-pyrazol-5-yl)phenol is Oc1ccc(F)cc1-c1ccn[nH]1.
What is the InChIKey of 4-fluoro-2-(1H-pyrazol-5-yl)phenol?
The InChIKey is QKAHKTLLEHWJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12).
What are the key properties of 4-fluoro-2-(1H-pyrazol-5-yl)phenol?
4-fluoro-2-(1H-pyrazol-5-yl)phenol has a molecular weight of 178.17 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 5068606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).