[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone

C15H19N5O — CID 121178515

IUPAC[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(n3nccn3)C2)c1
InChIInChI=1S/C15H19N5O/c1-18(2)13-5-3-4-12(10-13)15(21)19-9-6-14(11-19)20-16-7-8-17-20/h3-5,7-8,10,14H,6,9,11H2,1-2H3
InChIKeyOZSBWRDWQIGKTK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.43
Rot. Bonds3

About [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone

[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 121178515) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID121178515
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCC(n3nccn3)C2)c1
InChIInChI=1S/C15H19N5O/c1-18(2)13-5-3-4-12(10-13)15(21)19-9-6-14(11-19)20-16-7-8-17-20/h3-5,7-8,10,14H,6,9,11H2,1-2H3
InChIKeyOZSBWRDWQIGKTK-UHFFFAOYSA-N
XLogP1.43
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499
(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124759378
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 96997991
[3-(dimethylamino)phenyl]-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 166618457
N-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 51094004
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
[3-(dimethylamino)phenyl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585104

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone (CID 121178515) is [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCC(n3nccn3)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is OZSBWRDWQIGKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-18(2)13-5-3-4-12(10-13)15(21)19-9-6-14(11-19)20-16-7-8-17-20/h3-5,7-8,10,14H,6,9,11H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121178515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).