3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine

Name: 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₄N₄ — CID 10688036

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine

SMILESc1ccc(CCN2CCC(c3cc(-c4cccnc4)n[nH]3)CC2)cc1

InChIInChI=1S/C21H24N4/c1-2-5-17(6-3-1)8-12-25-13-9-18(10-14-25)20-15-21(24-23-20)19-7-4-11-22-16-19/h1-7,11,15-16,18H,8-10,12-14H2,(H,23,24)

InChIKeyXTZZQQZBOKCCIX-UHFFFAOYSA-N

MW332.45 g/mol

LogP3.89

Rot. Bonds5

About 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine

3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (PubChem CID 10688036) has the molecular formula C₂₁H₂₄N₄ and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name	3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
PubChem CID	10688036
Molecular Formula	C₂₁H₂₄N₄
Molecular Weight	332.45 g/mol
Exact Mass	332.20
IUPAC Name	3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
SMILES	c1ccc(CCN2CCC(c3cc(-c4cccnc4)n[nH]3)CC2)cc1
InChI	InChI=1S/C21H24N4/c1-2-5-17(6-3-1)8-12-25-13-9-18(10-14-25)20-15-21(24-23-20)19-7-4-11-22-16-19/h1-7,11,15-16,18H,8-10,12-14H2,(H,23,24)
InChIKey	XTZZQQZBOKCCIX-UHFFFAOYSA-N
XLogP	3.89
TPSA	44.81 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.45
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?

The IUPAC name of 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (CID 10688036) is 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.

What is the SMILES notation for 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?

The canonical SMILES for 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is c1ccc(CCN2CCC(c3cc(-c4cccnc4)n[nH]3)CC2)cc1.

What is the InChIKey of 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?

The InChIKey is XTZZQQZBOKCCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-5-17(6-3-1)8-12-25-13-9-18(10-14-25)20-15-21(24-23-20)19-7-4-11-22-16-19/h1-7,11,15-16,18H,8-10,12-14H2,(H,23,24).

What are the key properties of 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?

3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 10688036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 10688036 — identifiers, structure, computed properties (public domain)

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