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

C15H12N2O2 — CID 137186634

IUPAC2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C15H12N2O2/c18-11-6-7-15(19)12(8-11)14-9-13(16-17-14)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17)
InChIKeyCXXUAGHNHOXGEE-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.15
Rot. Bonds2

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

2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol (PubChem CID 137186634) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol
PubChem CID137186634
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol
SMILESOc1ccc(O)c(-c2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C15H12N2O2/c18-11-6-7-15(19)12(8-11)14-9-13(16-17-14)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17)
InChIKeyCXXUAGHNHOXGEE-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol
CID 165349961
4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
CID 135465890
4-hydroxy-3-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135412754
4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
CID 136610688
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 781234
2-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136647220
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-4-methylphenol
CID 916137
2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol
CID 137234781
4-methyl-2-[3-(4-sulfanylphenyl)-1H-pyrazol-5-yl]phenol
CID 136622224
3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole
CID 4279179
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
2-[4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1H-pyrazol-5-yl]phenol
CID 135458161

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol?
The IUPAC name of 2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol (CID 137186634) is 2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol.
What is the SMILES notation for 2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol?
The canonical SMILES for 2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol is Oc1ccc(O)c(-c2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of 2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol?
The InChIKey is CXXUAGHNHOXGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-11-6-7-15(19)12(8-11)14-9-13(16-17-14)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17).
What are the key properties of 2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol?
2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-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 2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol is sourced from PubChem (CID 137186634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).