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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Related Compounds

1-(2-naphthalen-1-ylethyl)-4-(3-thiophen-3-yl-1H-pyrazol-5-yl)piperidine
CID 22911509
1-[(2,6-dichlorophenyl)methyl]-4-(3-naphthalen-1-yl-1H-pyrazol-5-yl)piperidine
CID 4318406
3-phenyl-2-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]imidazo[1,2-a]pyrimidine
CID 25188954
4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177157
5-bromo-3-[1-(2-naphthalen-1-ylethyl)piperidin-4-yl]-1H-indole
CID 67753647
2-methyl-6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 25190278
3-[2-[4-[3-(3,4-dihydro-1,2-benzodioxin-6-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethyl]-1H-indole
CID 22911485
2-[[4-[3-(2,3-dimethylimidazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177261
4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 56705526
2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177243
4-methyl-2-[[4-[3-(4-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177219
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834

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).