2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone

C11H16ClN3O — CID 114669802

IUPAC2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(Cl)c1C(=O)CC1CNC1
InChIInChI=1S/C11H16ClN3O/c1-2-3-15-11(9(12)7-14-15)10(16)4-8-5-13-6-8/h7-8,13H,2-6H2,1H3
InChIKeyGEOORNXZPIZPCA-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.74
Rot. Bonds5

About 2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone

2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone (PubChem CID 114669802) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
PubChem CID114669802
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(Cl)c1C(=O)CC1CNC1
InChIInChI=1S/C11H16ClN3O/c1-2-3-15-11(9(12)7-14-15)10(16)4-8-5-13-6-8/h7-8,13H,2-6H2,1H3
InChIKeyGEOORNXZPIZPCA-UHFFFAOYSA-N
XLogP1.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone
CID 114669990
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-piperidin-3-ylethanone
CID 114668929
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopropylethanone
CID 114641756
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cycloheptylethanone
CID 115802561
1-(4-chloro-1-propylpyrazol-5-yl)-4-methoxy-3-methylbutan-1-one
CID 105131020
1-(4-chloro-1-propylpyrazol-5-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 114640482
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173
(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640796
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone (CID 114669802) is 2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone is CCCn1ncc(Cl)c1C(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone?
The InChIKey is GEOORNXZPIZPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-3-15-11(9(12)7-14-15)10(16)4-8-5-13-6-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone?
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone has a molecular weight of 241.72 g/mol, XLogP of 1.74, 5 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-(4-chloro-1-propylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114669802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).