2-(pyrazol-1-ylmethyl)phenol

C10H10N2O — CID 15917669

IUPAC2-(pyrazol-1-ylmethyl)phenol
SMILESOc1ccccc1Cn1cccn1
InChIInChI=1S/C10H10N2O/c13-10-5-2-1-4-9(10)8-12-7-3-6-11-12/h1-7,13H,8H2
InChIKeyBJOZXBYJFDBSAF-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.64
Rot. Bonds2

About 2-(pyrazol-1-ylmethyl)phenol

2-(pyrazol-1-ylmethyl)phenol (PubChem CID 15917669) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(pyrazol-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-(pyrazol-1-ylmethyl)phenol
PubChem CID15917669
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(pyrazol-1-ylmethyl)phenol
SMILESOc1ccccc1Cn1cccn1
InChIInChI=1S/C10H10N2O/c13-10-5-2-1-4-9(10)8-12-7-3-6-11-12/h1-7,13H,8H2
InChIKeyBJOZXBYJFDBSAF-UHFFFAOYSA-N
XLogP1.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrazol-1-ylmethyl)phenol?
The IUPAC name of 2-(pyrazol-1-ylmethyl)phenol (CID 15917669) is 2-(pyrazol-1-ylmethyl)phenol.
What is the SMILES notation for 2-(pyrazol-1-ylmethyl)phenol?
The canonical SMILES for 2-(pyrazol-1-ylmethyl)phenol is Oc1ccccc1Cn1cccn1.
What is the InChIKey of 2-(pyrazol-1-ylmethyl)phenol?
The InChIKey is BJOZXBYJFDBSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c13-10-5-2-1-4-9(10)8-12-7-3-6-11-12/h1-7,13H,8H2.
What are the key properties of 2-(pyrazol-1-ylmethyl)phenol?
2-(pyrazol-1-ylmethyl)phenol has a molecular weight of 174.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrazol-1-ylmethyl)phenol is sourced from PubChem (CID 15917669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).