[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

C19H18ClN5O — CID 26406283

IUPAC[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cn(Cc2cccc(Cl)c2)nn1)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C19H18ClN5O/c20-15-6-3-5-14(11-15)12-24-13-17(22-23-24)19(26)25-10-4-8-18(25)16-7-1-2-9-21-16/h1-3,5-7,9,11,13,18H,4,8,10,12H2/t18-/m0/s1
InChIKeyZUARQBDBAUEFTO-SFHVURJKSA-N
MW367.84 g/mol
LogP3.35
Rot. Bonds4

About [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone

[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (PubChem CID 26406283) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
PubChem CID26406283
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1cn(Cc2cccc(Cl)c2)nn1)N1CCC[C@H]1c1ccccn1
InChIInChI=1S/C19H18ClN5O/c20-15-6-3-5-14(11-15)12-24-13-17(22-23-24)19(26)25-10-4-8-18(25)16-7-1-2-9-21-16/h1-3,5-7,9,11,13,18H,4,8,10,12H2/t18-/m0/s1
InChIKeyZUARQBDBAUEFTO-SFHVURJKSA-N
XLogP3.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26392890
(3-chlorophenyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 47380034
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 94810217
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[3-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 45176404
[(2S)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125010540
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 42394571
4-[1-[(3-chlorophenyl)methyl]triazole-4-carbonyl]-1-phenylpiperazin-2-one
CID 25453569
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 59170111
N-benzyl-1-[[1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]methyl]triazole-4-carboxamide
CID 171144124
(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616726

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone (CID 26406283) is [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is O=C(c1cn(Cc2cccc(Cl)c2)nn1)N1CCC[C@H]1c1ccccn1.
What is the InChIKey of [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
The InChIKey is ZUARQBDBAUEFTO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18ClN5O/c20-15-6-3-5-14(11-15)12-24-13-17(22-23-24)19(26)25-10-4-8-18(25)16-7-1-2-9-21-16/h1-3,5-7,9,11,13,18H,4,8,10,12H2/t18-/m0/s1.
What are the key properties of [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone?
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone has a molecular weight of 367.84 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 26406283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).