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

C21H24N4 — CID 10688036

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 Name3-[5-[1-(2-phenylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
PubChem CID10688036
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name3-[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
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 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).