2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide

C12H20N4O2 — CID 102610864

IUPAC2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C12H20N4O2/c1-9(2)16-10(4-5-14-16)15-11(17)6-18-12(3)7-13-8-12/h4-5,9,13H,6-8H2,1-3H3,(H,15,17)
InChIKeyWOKHZUPHWZMXKF-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.78
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide

2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 102610864) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID102610864
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
SMILESCC(C)n1nccc1NC(=O)COC1(C)CNC1
InChIInChI=1S/C12H20N4O2/c1-9(2)16-10(4-5-14-16)15-11(17)6-18-12(3)7-13-8-12/h4-5,9,13H,6-8H2,1-3H3,(H,15,17)
InChIKeyWOKHZUPHWZMXKF-UHFFFAOYSA-N
XLogP0.78
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-Oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate
CID 4878258
N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 53560007
(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
CID 94181328
N-ethyl-2-[3-[[(2S)-1-methoxypropan-2-yl]amino]pyrazol-1-yl]acetamide
CID 97338499
2-methoxy-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide
CID 124286884
N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713
N-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86991460
N-[2-(oxolan-3-yl)pyrazol-3-yl]-1-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 137888536
4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide
CID 166258749
2-(2,6-dimethylmorpholin-4-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913380
1-[(1-Methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl acetate
CID 20394339
1-(2-Acetoxyethyl)-5-acetylaminopyrazole
CID 22916765

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide (CID 102610864) is 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide is CC(C)n1nccc1NC(=O)COC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is WOKHZUPHWZMXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9(2)16-10(4-5-14-16)15-11(17)6-18-12(3)7-13-8-12/h4-5,9,13H,6-8H2,1-3H3,(H,15,17).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide?
2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 102610864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).