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

C15H12N2O2 — CID 136610688

IUPAC4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1O
InChIInChI=1S/C15H12N2O2/c18-14-7-6-11(8-15(14)19)13-9-12(16-17-13)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17)
InChIKeyOLGSNGIIDJSABR-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.15
Rot. Bonds2

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

4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol (PubChem CID 136610688) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
PubChem CID136610688
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1O
InChIInChI=1S/C15H12N2O2/c18-14-7-6-11(8-15(14)19)13-9-12(16-17-13)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17)
InChIKeyOLGSNGIIDJSABR-UHFFFAOYSA-N
XLogP3.15
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol?
The IUPAC name of 4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol (CID 136610688) is 4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol?
The canonical SMILES for 4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol is Oc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1O.
What is the InChIKey of 4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol?
The InChIKey is OLGSNGIIDJSABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-14-7-6-11(8-15(14)19)13-9-12(16-17-13)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17).
What are the key properties of 4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol?
4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol has a molecular weight of 252.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol is sourced from PubChem (CID 136610688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).