2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

C19H26N4O2 — CID 56781739

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CC(n3nc(C)cc3C)C2)cc1
InChIInChI=1S/C19H26N4O2/c1-14-10-15(2)23(21-14)17-11-22(12-17)13-19(24)20-9-8-16-4-6-18(25-3)7-5-16/h4-7,10,17H,8-9,11-13H2,1-3H3,(H,20,24)
InChIKeyUUHHWWHSTABGPU-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.72
Rot. Bonds7

About 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 56781739) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID56781739
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CC(n3nc(C)cc3C)C2)cc1
InChIInChI=1S/C19H26N4O2/c1-14-10-15(2)23(21-14)17-11-22(12-17)13-19(24)20-9-8-16-4-6-18(25-3)7-5-16/h4-7,10,17H,8-9,11-13H2,1-3H3,(H,20,24)
InChIKeyUUHHWWHSTABGPU-UHFFFAOYSA-N
XLogP1.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110688801
N-[2-(4-methoxyphenyl)ethyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95313734
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 42541171
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 9408054
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90495552
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 26586028
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 699193
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60546577
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110754765
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8529199
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 71903899
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503369

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 56781739) is 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN2CC(n3nc(C)cc3C)C2)cc1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is UUHHWWHSTABGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-10-15(2)23(21-14)17-11-22(12-17)13-19(24)20-9-8-16-4-6-18(25-3)7-5-16/h4-7,10,17H,8-9,11-13H2,1-3H3,(H,20,24).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 56781739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).