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

C9H13N3O — CID 91463068

IUPAC1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(CC(=O)N2CCC2)n1
InChIInChI=1S/C9H13N3O/c1-8-3-6-12(10-8)7-9(13)11-4-2-5-11/h3,6H,2,4-5,7H2,1H3
InChIKeyOQISGOQQGNDLHU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.42
Rot. Bonds2

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

1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone (PubChem CID 91463068) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone
PubChem CID91463068
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone
SMILESCc1ccn(CC(=O)N2CCC2)n1
InChIInChI=1S/C9H13N3O/c1-8-3-6-12(10-8)7-9(13)11-4-2-5-11/h3,6H,2,4-5,7H2,1H3
InChIKeyOQISGOQQGNDLHU-UHFFFAOYSA-N
XLogP0.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 19531415
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(3-methylpyrazol-1-yl)ethanone;hydrochloride
CID 154908027
1-[(3S)-3-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidin-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 42475268
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
2-(3-aminopyrazol-1-yl)-1-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107403471
3-(3-methylbutyl)-8-[2-(3-methylpyrazol-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718372
1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole
CID 134594227
1-morpholin-4-yl-2-(3-propan-2-ylpyrazol-1-yl)ethanone
CID 97243102
2-(3-methylpyrazol-1-yl)-1-[4-(3-phenoxy-1-propan-2-ylazetidin-2-yl)piperidin-1-yl]ethanone
CID 171142553
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 25385278
2-(3-aminopyrazol-1-yl)-1-thiomorpholin-4-ylethanone
CID 62102676
N-[(1R,2R)-2-methoxy-1'-[2-(3-methylpyrazol-1-yl)acetyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-phenoxyacetamide
CID 42370039

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone (CID 91463068) is 1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone is Cc1ccn(CC(=O)N2CCC2)n1.
What is the InChIKey of 1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone?
The InChIKey is OQISGOQQGNDLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-8-3-6-12(10-8)7-9(13)11-4-2-5-11/h3,6H,2,4-5,7H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone?
1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-(3-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 91463068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).