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

C15H12N2O2 — CID 165349961

IUPAC4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol
SMILESOc1ccc(-c2cc(-c3ccccc3)n[nH]2)c(O)c1
InChIInChI=1S/C15H12N2O2/c18-11-6-7-12(15(19)8-11)14-9-13(16-17-14)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17)
InChIKeySXIOOJHIXWGZQK-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.15
Rot. Bonds2

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

4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol (PubChem CID 165349961) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol
PubChem CID165349961
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol
SMILESOc1ccc(-c2cc(-c3ccccc3)n[nH]2)c(O)c1
InChIInChI=1S/C15H12N2O2/c18-11-6-7-12(15(19)8-11)14-9-13(16-17-14)10-4-2-1-3-5-10/h1-9,18-19H,(H,16,17)
InChIKeySXIOOJHIXWGZQK-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

Analyze 4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol
CID 137186634
4,5-dimethyl-2-(3-phenyl-1H-pyrazol-5-yl)phenol
CID 135465890
2-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136647220
4-hydroxy-3-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135412754
2,4-dichloro-6-(3-phenyl-1H-pyrazol-5-yl)phenol
CID 137234781
4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
CID 136610688
2-(2-hydroxyphenyl)phenol;4-phenylbenzene-1,3-diol
CID 69274449
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
2-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-5-methylphenol
CID 2848299
3-(3-phenyl-1H-pyrazol-5-yl)pyridine-2-carboxylic acid
CID 134462707
3-phenyl-5-(1H-pyrazol-5-yl)-1H-pyrazole
CID 4279179
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol?
The IUPAC name of 4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol (CID 165349961) is 4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol is Oc1ccc(-c2cc(-c3ccccc3)n[nH]2)c(O)c1.
What is the InChIKey of 4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol?
The InChIKey is SXIOOJHIXWGZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-11-6-7-12(15(19)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 4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol?
4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-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-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 165349961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).