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

C25H26N4 — CID 22911520

IUPAC2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
SMILESc1ccc(-c2cc(C3CCN(CCc4cccc5ccccc45)CC3)[nH]n2)nc1
InChIInChI=1S/C25H26N4/c1-2-9-22-19(6-1)7-5-8-20(22)11-15-29-16-12-21(13-17-29)24-18-25(28-27-24)23-10-3-4-14-26-23/h1-10,14,18,21H,11-13,15-17H2,(H,27,28)
InChIKeyWCCHKZLWHUXZTB-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.05
Rot. Bonds5

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

2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (PubChem CID 22911520) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
PubChem CID22911520
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine
SMILESc1ccc(-c2cc(C3CCN(CCc4cccc5ccccc45)CC3)[nH]n2)nc1
InChIInChI=1S/C25H26N4/c1-2-9-22-19(6-1)7-5-8-20(22)11-15-29-16-12-21(13-17-29)24-18-25(28-27-24)23-10-3-4-14-26-23/h1-10,14,18,21H,11-13,15-17H2,(H,27,28)
InChIKeyWCCHKZLWHUXZTB-UHFFFAOYSA-N
XLogP5.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine (CID 22911520) is 2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is c1ccc(-c2cc(C3CCN(CCc4cccc5ccccc45)CC3)[nH]n2)nc1.
What is the InChIKey of 2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
The InChIKey is WCCHKZLWHUXZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-2-9-22-19(6-1)7-5-8-20(22)11-15-29-16-12-21(13-17-29)24-18-25(28-27-24)23-10-3-4-14-26-23/h1-10,14,18,21H,11-13,15-17H2,(H,27,28).
What are the key properties of 2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine?
2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine has a molecular weight of 382.51 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 22911520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).