1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone

C11H16ClN3O2 — CID 116587484

IUPAC1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(Cl)c1CC(=O)C1COCC1N
InChIInChI=1S/C11H16ClN3O2/c1-6-7(11(12)15(2)14-6)3-10(16)8-4-17-5-9(8)13/h8-9H,3-5,13H2,1-2H3
InChIKeyZTSBXDBEDYZTDU-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.47
Rot. Bonds3

About 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone

1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone (PubChem CID 116587484) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
PubChem CID116587484
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
SMILESCc1nn(C)c(Cl)c1CC(=O)C1COCC1N
InChIInChI=1S/C11H16ClN3O2/c1-6-7(11(12)15(2)14-6)3-10(16)8-4-17-5-9(8)13/h8-9H,3-5,13H2,1-2H3
InChIKeyZTSBXDBEDYZTDU-UHFFFAOYSA-N
XLogP0.47
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116580783
1-(3-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116579569
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone
CID 116561672
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)butan-2-one
CID 116550729
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
CID 116555894
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-one
CID 116592681
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105128124
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methyl-3-propan-2-ylpentan-2-one
CID 114281965
6-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-one
CID 116571972
1-(1-aminocyclopentyl)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)propan-2-one
CID 116578705
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3-dihydro-1H-indol-3-yl)ethanone
CID 116594603
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide
CID 104862063

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone (CID 116587484) is 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone is Cc1nn(C)c(Cl)c1CC(=O)C1COCC1N.
What is the InChIKey of 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone?
The InChIKey is ZTSBXDBEDYZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-6-7(11(12)15(2)14-6)3-10(16)8-4-17-5-9(8)13/h8-9H,3-5,13H2,1-2H3.
What are the key properties of 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone?
1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone has a molecular weight of 257.72 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 116587484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).