(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone

C9H13N3O — CID 123809651

IUPAC(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
SMILESCC1CN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C9H13N3O/c1-7-5-12(6-7)9(13)8-3-4-11(2)10-8/h3-4,7H,5-6H2,1-2H3
InChIKeyYTGDSTVLAZNVSP-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.51
Rot. Bonds1

About (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone

(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone (PubChem CID 123809651) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
PubChem CID123809651
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
SMILESCC1CN(C(=O)c2ccn(C)n2)C1
InChIInChI=1S/C9H13N3O/c1-7-5-12(6-7)9(13)8-3-4-11(2)10-8/h3-4,7H,5-6H2,1-2H3
InChIKeyYTGDSTVLAZNVSP-UHFFFAOYSA-N
XLogP0.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
1-[4-[(3R,4R)-4-hydroxy-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 110108567
[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
[(4E)-4-hydroxyimino-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103118431
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95828671
[(3R,4R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110108608

Frequently Asked Questions

What is the IUPAC name of (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone (CID 123809651) is (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone is CC1CN(C(=O)c2ccn(C)n2)C1.
What is the InChIKey of (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
The InChIKey is YTGDSTVLAZNVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-5-12(6-7)9(13)8-3-4-11(2)10-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone?
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 123809651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).