2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine

C21H24N4O — CID 95569682

IUPAC2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine
SMILESCn1cc([C@@H]2CCCN2Cc2ccc(OCc3ccccn3)cc2)cn1
InChIInChI=1S/C21H24N4O/c1-24-15-18(13-23-24)21-6-4-12-25(21)14-17-7-9-20(10-8-17)26-16-19-5-2-3-11-22-19/h2-3,5,7-11,13,15,21H,4,6,12,14,16H2,1H3/t21-/m0/s1
InChIKeyVVKKWEQIXPZZCF-NRFANRHFSA-N
MW348.45 g/mol
LogP3.73
Rot. Bonds6

About 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine

2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine (PubChem CID 95569682) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine
PubChem CID95569682
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine
SMILESCn1cc([C@@H]2CCCN2Cc2ccc(OCc3ccccn3)cc2)cn1
InChIInChI=1S/C21H24N4O/c1-24-15-18(13-23-24)21-6-4-12-25(21)14-17-7-9-20(10-8-17)26-16-19-5-2-3-11-22-19/h2-3,5,7-11,13,15,21H,4,6,12,14,16H2,1H3/t21-/m0/s1
InChIKeyVVKKWEQIXPZZCF-NRFANRHFSA-N
XLogP3.73
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 95326229
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86860831
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
2-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794145
(2R)-2-(1-methylpyrazol-4-yl)-1,4-bis(pyridin-2-ylmethyl)piperazine
CID 124885920
3-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 95311248
4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 95322878
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95321611
4-ethyl-2-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperazine
CID 126812748
[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 110908637
1-(4-methoxyphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 56825195
(1R,5S)-6-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane;dihydrochloride
CID 154901016

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine?
The IUPAC name of 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine (CID 95569682) is 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine is Cn1cc([C@@H]2CCCN2Cc2ccc(OCc3ccccn3)cc2)cn1.
What is the InChIKey of 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine?
The InChIKey is VVKKWEQIXPZZCF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-15-18(13-23-24)21-6-4-12-25(21)14-17-7-9-20(10-8-17)26-16-19-5-2-3-11-22-19/h2-3,5,7-11,13,15,21H,4,6,12,14,16H2,1H3/t21-/m0/s1.
What are the key properties of 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine?
2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine has a molecular weight of 348.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 95569682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).