3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine

C21H24N4 — CID 30937270

IUPAC3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine
SMILESc1cncc(-c2cccc(-c3ccn(CCN4CCCCC4)n3)c2)c1
InChIInChI=1S/C21H24N4/c1-2-11-24(12-3-1)14-15-25-13-9-21(23-25)19-7-4-6-18(16-19)20-8-5-10-22-17-20/h4-10,13,16-17H,1-3,11-12,14-15H2
InChIKeyQNRUDASAUVMEHY-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.10
Rot. Bonds5

About 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine

3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine (PubChem CID 30937270) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine
PubChem CID30937270
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine
SMILESc1cncc(-c2cccc(-c3ccn(CCN4CCCCC4)n3)c2)c1
InChIInChI=1S/C21H24N4/c1-2-11-24(12-3-1)14-15-25-13-9-21(23-25)19-7-4-6-18(16-19)20-8-5-10-22-17-20/h4-10,13,16-17H,1-3,11-12,14-15H2
InChIKeyQNRUDASAUVMEHY-UHFFFAOYSA-N
XLogP4.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
The IUPAC name of 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine (CID 30937270) is 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine.
What is the SMILES notation for 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
The canonical SMILES for 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine is c1cncc(-c2cccc(-c3ccn(CCN4CCCCC4)n3)c2)c1.
What is the InChIKey of 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
The InChIKey is QNRUDASAUVMEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-11-24(12-3-1)14-15-25-13-9-21(23-25)19-7-4-6-18(16-19)20-8-5-10-22-17-20/h4-10,13,16-17H,1-3,11-12,14-15H2.
What are the key properties of 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine is sourced from PubChem (CID 30937270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).