[5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

C17H22N4O3 — CID 167791393

IUPAC[5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCC(c3ccc(OC)cc3)C2)n(C)n1
InChIInChI=1S/C17H22N4O3/c1-20-16(18-15(19-20)11-23-2)17(22)21-9-8-13(10-21)12-4-6-14(24-3)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyDFWDTWDTRULGLM-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.60
Rot. Bonds5

About [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

[5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 167791393) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID167791393
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name[5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOCc1nc(C(=O)N2CCC(c3ccc(OC)cc3)C2)n(C)n1
InChIInChI=1S/C17H22N4O3/c1-20-16(18-15(19-20)11-23-2)17(22)21-9-8-13(10-21)12-4-6-14(24-3)7-5-12/h4-7,13H,8-11H2,1-3H3
InChIKeyDFWDTWDTRULGLM-UHFFFAOYSA-N
XLogP1.60
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 124687784
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
2-[3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055956
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756
N-(2-cyclopentylethyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86876553
(2S)-2-amino-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 119313373
methyl 5-[[C-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-methylcarbonimidoyl]amino]pentanoate;hydroiodide
CID 111732242
3-(4-methoxyphenyl)-N'-methyl-N-propylpyrrolidine-1-carboximidamide
CID 111731071
3-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51104059

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone (CID 167791393) is [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is COCc1nc(C(=O)N2CCC(c3ccc(OC)cc3)C2)n(C)n1.
What is the InChIKey of [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is DFWDTWDTRULGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20-16(18-15(19-20)11-23-2)17(22)21-9-8-13(10-21)12-4-6-14(24-3)7-5-12/h4-7,13H,8-11H2,1-3H3.
What are the key properties of [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone?
[5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 330.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-2-methyl-1,2,4-triazol-3-yl]-[3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167791393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).