2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine

C21H24N4 — CID 99943792

IUPAC2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
SMILESc1ccc([C@@H]2CCCCN2Cc2ccc(Cn3cccn3)cc2)nc1
InChIInChI=1S/C21H24N4/c1-3-12-22-20(6-1)21-7-2-4-14-24(21)16-18-8-10-19(11-9-18)17-25-15-5-13-23-25/h1,3,5-6,8-13,15,21H,2,4,7,14,16-17H2/t21-/m0/s1
InChIKeyBGRSOKNCSLCOJQ-NRFANRHFSA-N
MW332.45 g/mol
LogP4.05
Rot. Bonds5

About 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine

2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine (PubChem CID 99943792) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
PubChem CID99943792
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
SMILESc1ccc([C@@H]2CCCCN2Cc2ccc(Cn3cccn3)cc2)nc1
InChIInChI=1S/C21H24N4/c1-3-12-22-20(6-1)21-7-2-4-14-24(21)16-18-8-10-19(11-9-18)17-25-15-5-13-23-25/h1,3,5-6,8-13,15,21H,2,4,7,14,16-17H2/t21-/m0/s1
InChIKeyBGRSOKNCSLCOJQ-NRFANRHFSA-N
XLogP4.05
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(1-ethylpyrazol-3-yl)methyl]piperidin-2-yl]pyridine
CID 91835201
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
(2R)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99932857
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
N-(1-ethyltriazol-4-yl)-4-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]benzamide
CID 95121471
2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99948448

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine (CID 99943792) is 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine is c1ccc([C@@H]2CCCCN2Cc2ccc(Cn3cccn3)cc2)nc1.
What is the InChIKey of 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine?
The InChIKey is BGRSOKNCSLCOJQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4/c1-3-12-22-20(6-1)21-7-2-4-14-24(21)16-18-8-10-19(11-9-18)17-25-15-5-13-23-25/h1,3,5-6,8-13,15,21H,2,4,7,14,16-17H2/t21-/m0/s1.
What are the key properties of 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine?
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 99943792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).