2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol

C21H16N2O2 — CID 135497208

IUPAC2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3O)nn2-c2ccccc2)c1
InChIInChI=1S/C21H16N2O2/c24-17-10-6-7-15(13-17)20-14-19(18-11-4-5-12-21(18)25)22-23(20)16-8-2-1-3-9-16/h1-14,24-25H
InChIKeySHUFKQIUJQJLIP-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.62
Rot. Bonds3

About 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol

2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol (PubChem CID 135497208) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
PubChem CID135497208
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3O)nn2-c2ccccc2)c1
InChIInChI=1S/C21H16N2O2/c24-17-10-6-7-15(13-17)20-14-19(18-11-4-5-12-21(18)25)22-23(20)16-8-2-1-3-9-16/h1-14,24-25H
InChIKeySHUFKQIUJQJLIP-UHFFFAOYSA-N
XLogP4.62
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol (CID 135497208) is 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol is Oc1cccc(-c2cc(-c3ccccc3O)nn2-c2ccccc2)c1.
What is the InChIKey of 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol?
The InChIKey is SHUFKQIUJQJLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-17-10-6-7-15(13-17)20-14-19(18-11-4-5-12-21(18)25)22-23(20)16-8-2-1-3-9-16/h1-14,24-25H.
What are the key properties of 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol?
2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol has a molecular weight of 328.37 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol is sourced from PubChem (CID 135497208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).