4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine

C21H24N4 — CID 129132920

IUPAC4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
SMILESc1ccc(Cc2cn[nH]c2C2CCCN(Cc3ccncc3)C2)cc1
InChIInChI=1S/C21H24N4/c1-2-5-17(6-3-1)13-20-14-23-24-21(20)19-7-4-12-25(16-19)15-18-8-10-22-11-9-18/h1-3,5-6,8-11,14,19H,4,7,12-13,15-16H2,(H,23,24)
InChIKeyFYQZSYCOSCWXTD-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.78
Rot. Bonds5

About 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine

4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 129132920) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
PubChem CID129132920
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
SMILESc1ccc(Cc2cn[nH]c2C2CCCN(Cc3ccncc3)C2)cc1
InChIInChI=1S/C21H24N4/c1-2-5-17(6-3-1)13-20-14-23-24-21(20)19-7-4-12-25(16-19)15-18-8-10-22-11-9-18/h1-3,5-6,8-11,14,19H,4,7,12-13,15-16H2,(H,23,24)
InChIKeyFYQZSYCOSCWXTD-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrazine
CID 56722746
3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine
CID 56855128
2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545
(6R)-1-benzyl-4-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-1,4-diazepan-6-ol
CID 97435583
(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95197421
2-amino-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 56740582
4-[[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2,3-dichloropyridine
CID 129132926
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126467483
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110258581
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
4-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 95227792

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine (CID 129132920) is 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine is c1ccc(Cc2cn[nH]c2C2CCCN(Cc3ccncc3)C2)cc1.
What is the InChIKey of 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
The InChIKey is FYQZSYCOSCWXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-2-5-17(6-3-1)13-20-14-23-24-21(20)19-7-4-12-25(16-19)15-18-8-10-22-11-9-18/h1-3,5-6,8-11,14,19H,4,7,12-13,15-16H2,(H,23,24).
What are the key properties of 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine?
4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 129132920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).