3-pyrazol-1-ylphenol

C9H8N2O — CID 54592959

IUPAC3-pyrazol-1-ylphenol
SMILESOc1cccc(-n2cccn2)c1
InChIInChI=1S/C9H8N2O/c12-9-4-1-3-8(7-9)11-6-2-5-10-11/h1-7,12H
InChIKeyQOOFOEXDLXLCEP-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.58
Rot. Bonds1

About 3-pyrazol-1-ylphenol

3-pyrazol-1-ylphenol (PubChem CID 54592959) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-pyrazol-1-ylphenol.

Molecular Properties

Compound Name3-pyrazol-1-ylphenol
PubChem CID54592959
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name3-pyrazol-1-ylphenol
SMILESOc1cccc(-n2cccn2)c1
InChIInChI=1S/C9H8N2O/c12-9-4-1-3-8(7-9)11-6-2-5-10-11/h1-7,12H
InChIKeyQOOFOEXDLXLCEP-UHFFFAOYSA-N
XLogP1.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylphenol?
The IUPAC name of 3-pyrazol-1-ylphenol (CID 54592959) is 3-pyrazol-1-ylphenol.
What is the SMILES notation for 3-pyrazol-1-ylphenol?
The canonical SMILES for 3-pyrazol-1-ylphenol is Oc1cccc(-n2cccn2)c1.
What is the InChIKey of 3-pyrazol-1-ylphenol?
The InChIKey is QOOFOEXDLXLCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-4-1-3-8(7-9)11-6-2-5-10-11/h1-7,12H.
What are the key properties of 3-pyrazol-1-ylphenol?
3-pyrazol-1-ylphenol has a molecular weight of 160.18 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylphenol is sourced from PubChem (CID 54592959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).