2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol

C15H12N6O2 — CID 15733086

IUPAC2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol
SMILESOc1cc(-n2cccn2)c(O)c(-n2cccn2)c1-n1cccn1
InChIInChI=1S/C15H12N6O2/c22-12-10-11(19-7-1-4-16-19)15(23)14(21-9-3-6-18-21)13(12)20-8-2-5-17-20/h1-10,22-23H
InChIKeyOHUJWPNDGOJZEW-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.65
Rot. Bonds3

About 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol

2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol (PubChem CID 15733086) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol
PubChem CID15733086
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol
SMILESOc1cc(-n2cccn2)c(O)c(-n2cccn2)c1-n1cccn1
InChIInChI=1S/C15H12N6O2/c22-12-10-11(19-7-1-4-16-19)15(23)14(21-9-3-6-18-21)13(12)20-8-2-5-17-20/h1-10,22-23H
InChIKeyOHUJWPNDGOJZEW-UHFFFAOYSA-N
XLogP1.65
TPSA93.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol?
The IUPAC name of 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol (CID 15733086) is 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol.
What is the SMILES notation for 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol?
The canonical SMILES for 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol is Oc1cc(-n2cccn2)c(O)c(-n2cccn2)c1-n1cccn1.
What is the InChIKey of 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol?
The InChIKey is OHUJWPNDGOJZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c22-12-10-11(19-7-1-4-16-19)15(23)14(21-9-3-6-18-21)13(12)20-8-2-5-17-20/h1-10,22-23H.
What are the key properties of 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol?
2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol has a molecular weight of 308.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-tri(pyrazol-1-yl)benzene-1,4-diol is sourced from PubChem (CID 15733086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).