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

C9H13N3O — CID 116582203

IUPAC2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CNC2)cn1
InChIInChI=1S/C9H13N3O/c1-12-6-8(5-11-12)9(13)2-7-3-10-4-7/h5-7,10H,2-4H2,1H3
InChIKeyNZVTUCHMORQCHM-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.21
Rot. Bonds3

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

2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 116582203) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID116582203
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CNC2)cn1
InChIInChI=1S/C9H13N3O/c1-12-6-8(5-11-12)9(13)2-7-3-10-4-7/h5-7,10H,2-4H2,1H3
InChIKeyNZVTUCHMORQCHM-UHFFFAOYSA-N
XLogP0.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564116
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
2-(azetidin-3-yl)-1-(1-methylpyrazol-3-yl)ethanone
CID 103133263
2-(azetidin-3-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 130509592
2-(methylamino)-1-(1-methylpyrazol-4-yl)ethanone
CID 82595196
1-(1-methylpyrazol-4-yl)but-3-yn-1-one
CID 65195300
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
1-(1-methylpyrazol-4-yl)-3-methylsulfanylpropan-1-one
CID 105082349
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114669802
3-amino-3-methyl-1-(1-methylpyrazol-4-yl)butan-1-one
CID 116580990
3-(dimethylamino)-1-(1-methylpyrazol-4-yl)propan-1-one
CID 115345842
N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone (CID 116582203) is 2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)CC2CNC2)cn1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is NZVTUCHMORQCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-6-8(5-11-12)9(13)2-7-3-10-4-7/h5-7,10H,2-4H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone?
2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116582203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).