5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol

C15H12N2O3 — CID 135923293

IUPAC5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol
SMILESOc1cc(-c2ccnn2-c2ccccc2)cc(O)c1O
InChIInChI=1S/C15H12N2O3/c18-13-8-10(9-14(19)15(13)20)12-6-7-16-17(12)11-4-2-1-3-5-11/h1-9,18-20H
InChIKeyDWWTZKHZEUTKMH-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.66
Rot. Bonds2

About 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol

5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol (PubChem CID 135923293) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol.

Molecular Properties

Compound Name5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol
PubChem CID135923293
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol
SMILESOc1cc(-c2ccnn2-c2ccccc2)cc(O)c1O
InChIInChI=1S/C15H12N2O3/c18-13-8-10(9-14(19)15(13)20)12-6-7-16-17(12)11-4-2-1-3-5-11/h1-9,18-20H
InChIKeyDWWTZKHZEUTKMH-UHFFFAOYSA-N
XLogP2.66
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol?
The IUPAC name of 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol (CID 135923293) is 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol.
What is the SMILES notation for 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol?
The canonical SMILES for 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol is Oc1cc(-c2ccnn2-c2ccccc2)cc(O)c1O.
What is the InChIKey of 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol?
The InChIKey is DWWTZKHZEUTKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-13-8-10(9-14(19)15(13)20)12-6-7-16-17(12)11-4-2-1-3-5-11/h1-9,18-20H.
What are the key properties of 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol?
5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol has a molecular weight of 268.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylpyrazol-3-yl)benzene-1,2,3-triol is sourced from PubChem (CID 135923293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).