2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine

C21H24N4O — CID 56914339

IUPAC2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1ccc(-n2cccn2)c(CN2CCCCC2c2ccccn2)c1
InChIInChI=1S/C21H24N4O/c1-26-18-9-10-20(25-14-6-12-23-25)17(15-18)16-24-13-5-3-8-21(24)19-7-2-4-11-22-19/h2,4,6-7,9-12,14-15,21H,3,5,8,13,16H2,1H3
InChIKeyIIPFFOSTCSZJHO-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.00
Rot. Bonds5

About 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine

2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 56914339) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine
PubChem CID56914339
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1ccc(-n2cccn2)c(CN2CCCCC2c2ccccn2)c1
InChIInChI=1S/C21H24N4O/c1-26-18-9-10-20(25-14-6-12-23-25)17(15-18)16-24-13-5-3-8-21(24)19-7-2-4-11-22-19/h2,4,6-7,9-12,14-15,21H,3,5,8,13,16H2,1H3
InChIKeyIIPFFOSTCSZJHO-UHFFFAOYSA-N
XLogP4.00
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 42193708
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
(4aS,7aR)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-methyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133128684
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544
1-[2-[[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4-methoxyphenyl]pyrazole
CID 99947179
2-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 45189094
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
CID 157018475

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine (CID 56914339) is 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine is COc1ccc(-n2cccn2)c(CN2CCCCC2c2ccccn2)c1.
What is the InChIKey of 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is IIPFFOSTCSZJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-26-18-9-10-20(25-14-6-12-23-25)17(15-18)16-24-13-5-3-8-21(24)19-7-2-4-11-22-19/h2,4,6-7,9-12,14-15,21H,3,5,8,13,16H2,1H3.
What are the key properties of 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine?
2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 348.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 56914339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).