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

C21H24N4 — CID 31223595

IUPAC2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3ccn(CCN4CCCCC4)n3)c2)nc1
InChIInChI=1S/C21H24N4/c1-4-12-24(13-5-1)15-16-25-14-10-21(23-25)19-8-6-7-18(17-19)20-9-2-3-11-22-20/h2-3,6-11,14,17H,1,4-5,12-13,15-16H2
InChIKeySOWXWJBARWCHFG-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.10
Rot. Bonds5

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

2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine (PubChem CID 31223595) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine
PubChem CID31223595
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine
SMILESc1ccc(-c2cccc(-c3ccn(CCN4CCCCC4)n3)c2)nc1
InChIInChI=1S/C21H24N4/c1-4-12-24(13-5-1)15-16-25-14-10-21(23-25)19-8-6-7-18(17-19)20-9-2-3-11-22-20/h2-3,6-11,14,17H,1,4-5,12-13,15-16H2
InChIKeySOWXWJBARWCHFG-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 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
The IUPAC name of 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine (CID 31223595) is 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
The canonical SMILES for 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine is c1ccc(-c2cccc(-c3ccn(CCN4CCCCC4)n3)c2)nc1.
What is the InChIKey of 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
The InChIKey is SOWXWJBARWCHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-4-12-24(13-5-1)15-16-25-14-10-21(23-25)19-8-6-7-18(17-19)20-9-2-3-11-22-20/h2-3,6-11,14,17H,1,4-5,12-13,15-16H2.
What are the key properties of 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine?
2-[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 2-[3-[1-(2-piperidin-1-ylethyl)pyrazol-3-yl]phenyl]pyridine is sourced from PubChem (CID 31223595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).