4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine

C20H21N3O — CID 46204227

IUPAC4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine
SMILESOn1cc(C2CCNCC2)c(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
InChIKeyZGEMNNHBINYTKL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.92
Rot. Bonds3

About 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine

4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine (PubChem CID 46204227) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine.

Molecular Properties

Compound Name4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine
PubChem CID46204227
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine
SMILESOn1cc(C2CCNCC2)c(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2
InChIKeyZGEMNNHBINYTKL-UHFFFAOYSA-N
XLogP3.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine?
The IUPAC name of 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine (CID 46204227) is 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine.
What is the SMILES notation for 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine?
The canonical SMILES for 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine is On1cc(C2CCNCC2)c(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine?
The InChIKey is ZGEMNNHBINYTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-23-14-19(16-9-11-21-12-10-16)20(22-23)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13-14,16,21,24H,9-12H2.
What are the key properties of 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine?
4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine has a molecular weight of 319.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-3-(3-phenylphenyl)pyrazol-4-yl]piperidine is sourced from PubChem (CID 46204227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).