1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone

C9H13N3O2 — CID 156799354

IUPAC1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CC(O)C2)c1
InChIInChI=1S/C9H13N3O2/c1-7-2-10-12(3-7)6-9(14)11-4-8(13)5-11/h2-3,8,13H,4-6H2,1H3
InChIKeyQMTVAEYGSNYMCD-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.61
Rot. Bonds2

About 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone

1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 156799354) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID156799354
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CC(O)C2)c1
InChIInChI=1S/C9H13N3O2/c1-7-2-10-12(3-7)6-9(14)11-4-8(13)5-11/h2-3,8,13H,4-6H2,1H3
InChIKeyQMTVAEYGSNYMCD-UHFFFAOYSA-N
XLogP-0.61
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 97026533
1-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 110146883
1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 55213875
N-[[(3R,4R)-3,4-dihydroxy-1-[2-(4-methylpyrazol-1-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 110139433
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124996250
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124943573
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]ethanone
CID 92563712
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 95613155
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 19527668
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
CID 112531417
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 106672071

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone (CID 156799354) is 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)N2CC(O)C2)c1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is QMTVAEYGSNYMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7-2-10-12(3-7)6-9(14)11-4-8(13)5-11/h2-3,8,13H,4-6H2,1H3.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone?
1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 195.22 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 156799354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).