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

C21H24N4 — CID 10806501

IUPAC4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
SMILESc1ccc(CCN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-2-4-17(5-3-1)8-13-25-14-9-19(10-15-25)21-16-20(23-24-21)18-6-11-22-12-7-18/h1-7,11-12,16,19H,8-10,13-15H2,(H,23,24)
InChIKeyHXHXEJHGUJSCBJ-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.89
Rot. Bonds5

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

4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (PubChem CID 10806501) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
PubChem CID10806501
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
SMILESc1ccc(CCN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1
InChIInChI=1S/C21H24N4/c1-2-4-17(5-3-1)8-13-25-14-9-19(10-15-25)21-16-20(23-24-21)18-6-11-22-12-7-18/h1-7,11-12,16,19H,8-10,13-15H2,(H,23,24)
InChIKeyHXHXEJHGUJSCBJ-UHFFFAOYSA-N
XLogP3.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (CID 10806501) is 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is c1ccc(CCN2CCC(c3cc(-c4ccncc4)n[nH]3)CC2)cc1.
What is the InChIKey of 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The InChIKey is HXHXEJHGUJSCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-4-17(5-3-1)8-13-25-14-9-19(10-15-25)21-16-20(23-24-21)18-6-11-22-12-7-18/h1-7,11-12,16,19H,8-10,13-15H2,(H,23,24).
What are the key properties of 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
4-[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 4-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 10806501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).