2-pyrazol-1-ylphenol;hydrobromide

C9H9BrN2O — CID 119030992

IUPAC2-pyrazol-1-ylphenol;hydrobromide
SMILESBr.Oc1ccccc1-n1cccn1
InChIInChI=1S/C9H8N2O.BrH/c12-9-5-2-1-4-8(9)11-7-3-6-10-11;/h1-7,12H;1H
InChIKeyVTYFYYCDZDWXKM-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.16
Rot. Bonds1

About 2-pyrazol-1-ylphenol;hydrobromide

2-pyrazol-1-ylphenol;hydrobromide (PubChem CID 119030992) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-pyrazol-1-ylphenol;hydrobromide.

Molecular Properties

Compound Name2-pyrazol-1-ylphenol;hydrobromide
PubChem CID119030992
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name2-pyrazol-1-ylphenol;hydrobromide
SMILESBr.Oc1ccccc1-n1cccn1
InChIInChI=1S/C9H8N2O.BrH/c12-9-5-2-1-4-8(9)11-7-3-6-10-11;/h1-7,12H;1H
InChIKeyVTYFYYCDZDWXKM-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylphenol;hydrobromide?
The IUPAC name of 2-pyrazol-1-ylphenol;hydrobromide (CID 119030992) is 2-pyrazol-1-ylphenol;hydrobromide.
What is the SMILES notation for 2-pyrazol-1-ylphenol;hydrobromide?
The canonical SMILES for 2-pyrazol-1-ylphenol;hydrobromide is Br.Oc1ccccc1-n1cccn1.
What is the InChIKey of 2-pyrazol-1-ylphenol;hydrobromide?
The InChIKey is VTYFYYCDZDWXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.BrH/c12-9-5-2-1-4-8(9)11-7-3-6-10-11;/h1-7,12H;1H.
What are the key properties of 2-pyrazol-1-ylphenol;hydrobromide?
2-pyrazol-1-ylphenol;hydrobromide has a molecular weight of 241.09 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylphenol;hydrobromide is sourced from PubChem (CID 119030992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).