[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone

C18H24N4O2 — CID 155881600

IUPAC[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCCn1cnnc1CCC1CCCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C18H24N4O2/c1-3-21-13-19-20-17(21)10-9-15-7-5-11-22(15)18(23)14-6-4-8-16(12-14)24-2/h4,6,8,12-13,15H,3,5,7,9-11H2,1-2H3
InChIKeyGMXDDEJAUYYBGK-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.54
Rot. Bonds6

About [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone

[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 155881600) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID155881600
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
SMILESCCn1cnnc1CCC1CCCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C18H24N4O2/c1-3-21-13-19-20-17(21)10-9-15-7-5-11-22(15)18(23)14-6-4-8-16(12-14)24-2/h4,6,8,12-13,15H,3,5,7,9-11H2,1-2H3
InChIKeyGMXDDEJAUYYBGK-UHFFFAOYSA-N
XLogP2.54
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 155881609
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479
[2-[2-(4-benzyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 155881579
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94120134
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
CID 95306637
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
1-[2-[2-(4-benzyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 155881570
[2-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 155881662
1-[2-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 155881635
[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 94800092
(6-methoxy-1H-indol-2-yl)-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone
CID 155882027

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone (CID 155881600) is [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone is CCn1cnnc1CCC1CCCN1C(=O)c1cccc(OC)c1.
What is the InChIKey of [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is GMXDDEJAUYYBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-21-13-19-20-17(21)10-9-15-7-5-11-22(15)18(23)14-6-4-8-16(12-14)24-2/h4,6,8,12-13,15H,3,5,7,9-11H2,1-2H3.
What are the key properties of [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone?
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 155881600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).