1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone

C13H13ClN4O2 — CID 122248067

IUPAC1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C13H13ClN4O2/c14-11-3-1-4-15-13(11)20-10-7-17(8-10)12(19)9-18-6-2-5-16-18/h1-6,10H,7-9H2
InChIKeySMHDHCYKCQTCII-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.22
Rot. Bonds4

About 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 122248067) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID122248067
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CC(Oc2ncccc2Cl)C1
InChIInChI=1S/C13H13ClN4O2/c14-11-3-1-4-15-13(11)20-10-7-17(8-10)12(19)9-18-6-2-5-16-18/h1-6,10H,7-9H2
InChIKeySMHDHCYKCQTCII-UHFFFAOYSA-N
XLogP1.22
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]pent-4-en-1-one
CID 122247847
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 122248013
2-(4-chlorophenoxy)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122247949
1-(4-chlorophenyl)-4-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]butane-1,4-dione
CID 122247841
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(3,4-diethoxyphenyl)methanone
CID 122247908
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-cyclohexylmethanone
CID 122247872
(E)-1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 122247850
N-(4-chlorophenyl)-3-[(3-chloro-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248083
[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-(4-phenylphenyl)methanone
CID 122247943
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
3-[(3-chloro-2-pyridinyl)oxy]-N-thiophen-2-ylazetidine-1-carboxamide
CID 122248094
3-[(3-chloro-2-pyridinyl)oxy]-N-[(4-fluorophenyl)methyl]azetidine-1-carboxamide
CID 122248114

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone (CID 122248067) is 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CC(Oc2ncccc2Cl)C1.
What is the InChIKey of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is SMHDHCYKCQTCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-11-3-1-4-15-13(11)20-10-7-17(8-10)12(19)9-18-6-2-5-16-18/h1-6,10H,7-9H2.
What are the key properties of 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 292.73 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-2-pyridinyl)oxy]azetidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 122248067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).