3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine

C19H20N4O — CID 168886592

IUPAC3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine
SMILESOn1ncc(C2CCNCC2)c1-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C19H20N4O/c24-23-19(18(13-22-23)14-6-9-20-10-7-14)16-4-1-3-15(11-16)17-5-2-8-21-12-17/h1-5,8,11-14,20,24H,6-7,9-10H2
InChIKeyCMZKIQLBEICHQM-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.32
Rot. Bonds3

About 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine

3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine (PubChem CID 168886592) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine
PubChem CID168886592
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine
SMILESOn1ncc(C2CCNCC2)c1-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C19H20N4O/c24-23-19(18(13-22-23)14-6-9-20-10-7-14)16-4-1-3-15(11-16)17-5-2-8-21-12-17/h1-5,8,11-14,20,24H,6-7,9-10H2
InChIKeyCMZKIQLBEICHQM-UHFFFAOYSA-N
XLogP3.32
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine 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 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine?
The IUPAC name of 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine (CID 168886592) is 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine is On1ncc(C2CCNCC2)c1-c1cccc(-c2cccnc2)c1.
What is the InChIKey of 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine?
The InChIKey is CMZKIQLBEICHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-23-19(18(13-22-23)14-6-9-20-10-7-14)16-4-1-3-15(11-16)17-5-2-8-21-12-17/h1-5,8,11-14,20,24H,6-7,9-10H2.
What are the key properties of 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine?
3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine has a molecular weight of 320.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-hydroxy-4-piperidin-4-ylpyrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 168886592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).