2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one

C11H17N3O — CID 138583469

IUPAC2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one
SMILESCCC(C)C(=O)N1CC(n2cccn2)C1
InChIInChI=1S/C11H17N3O/c1-3-9(2)11(15)13-7-10(8-13)14-6-4-5-12-14/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyBWIAWVVKAAPMRQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.31
Rot. Bonds3

About 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one

2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one (PubChem CID 138583469) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one
PubChem CID138583469
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one
SMILESCCC(C)C(=O)N1CC(n2cccn2)C1
InChIInChI=1S/C11H17N3O/c1-3-9(2)11(15)13-7-10(8-13)14-6-4-5-12-14/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyBWIAWVVKAAPMRQ-UHFFFAOYSA-N
XLogP1.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-butan-2-ylazetidin-3-yl)pyrazole
CID 131132060
1-(3-aminoazetidin-1-yl)-2-methylbutan-1-one
CID 63754919
2-ethyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 121154833
(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95283086
(2R)-2-(cyclopropylmethoxy)-1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]propan-1-one
CID 95283084
1-(3,5-dimethylpiperazin-1-yl)-2-methylbutan-1-one
CID 63874418
(3S)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95158097
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339
(2S)-2-phenyl-1-[3-(triazol-1-yl)azetidin-1-yl]butan-1-one
CID 129352862
(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900094
(3R)-1-[(2S)-2-methylbutanoyl]-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-3-carboxamide
CID 98756044
1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one?
The IUPAC name of 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one (CID 138583469) is 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one.
What is the SMILES notation for 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one?
The canonical SMILES for 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one is CCC(C)C(=O)N1CC(n2cccn2)C1.
What is the InChIKey of 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one?
The InChIKey is BWIAWVVKAAPMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-9(2)11(15)13-7-10(8-13)14-6-4-5-12-14/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one?
2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-pyrazol-1-ylazetidin-1-yl)butan-1-one is sourced from PubChem (CID 138583469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).