2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

C16H20N4O2 — CID 91834753

IUPAC2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCOc1cccc(C2CCN2CC(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C16H20N4O2/c1-19-8-7-15(18-19)17-16(21)11-20-9-6-14(20)12-4-3-5-13(10-12)22-2/h3-5,7-8,10,14H,6,9,11H2,1-2H3,(H,17,18,21)
InChIKeyLOCGAYCZZJNFLK-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 91834753) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID91834753
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCOc1cccc(C2CCN2CC(=O)Nc2ccn(C)n2)c1
InChIInChI=1S/C16H20N4O2/c1-19-8-7-15(18-19)17-16(21)11-20-9-6-14(20)12-4-3-5-13(10-12)22-2/h3-5,7-8,10,14H,6,9,11H2,1-2H3,(H,17,18,21)
InChIKeyLOCGAYCZZJNFLK-UHFFFAOYSA-N
XLogP1.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]acetamide
CID 124749387
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51471448
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91830392
N-(2,5-dimethylpyrazol-3-yl)-2-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 129349963

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 91834753) is 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is COc1cccc(C2CCN2CC(=O)Nc2ccn(C)n2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is LOCGAYCZZJNFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-8-7-15(18-19)17-16(21)11-20-9-6-14(20)12-4-3-5-13(10-12)22-2/h3-5,7-8,10,14H,6,9,11H2,1-2H3,(H,17,18,21).
What are the key properties of 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 300.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)azetidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 91834753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).