2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone

C11H16ClN3O2 — CID 116561672

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone
SMILESCc1nn(C)c(Cl)c1CC(=O)C1CNCCO1
InChIInChI=1S/C11H16ClN3O2/c1-7-8(11(12)15(2)14-7)5-9(16)10-6-13-3-4-17-10/h10,13H,3-6H2,1-2H3
InChIKeyNSSKBMGFYACPMI-UHFFFAOYSA-N
MW257.72 g/mol
LogP0.48
Rot. Bonds3

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone (PubChem CID 116561672) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone
PubChem CID116561672
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone
SMILESCc1nn(C)c(Cl)c1CC(=O)C1CNCCO1
InChIInChI=1S/C11H16ClN3O2/c1-7-8(11(12)15(2)14-7)5-9(16)10-6-13-3-4-17-10/h10,13H,3-6H2,1-2H3
InChIKeyNSSKBMGFYACPMI-UHFFFAOYSA-N
XLogP0.48
TPSA56.15 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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578
1-(4-aminooxolan-3-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116587484
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methyl-3-propan-2-ylpentan-2-one
CID 114281965
1-morpholin-2-yl-2-(1-propylimidazol-2-yl)ethanone
CID 116561696
(2-methylpyrazol-3-yl)-morpholin-2-ylmethanone
CID 116561589
1-(3-amino-2-bicyclo[2.2.1]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 116580783
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-hydroxy-4,4-dimethylpentan-2-one
CID 103456367
2-(3-chlorophenyl)-1-morpholin-2-ylethanone
CID 116561676
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570580
2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561773
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 105128124
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)butan-2-one
CID 116550729

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone (CID 116561672) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone is Cc1nn(C)c(Cl)c1CC(=O)C1CNCCO1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone?
The InChIKey is NSSKBMGFYACPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7-8(11(12)15(2)14-7)5-9(16)10-6-13-3-4-17-10/h10,13H,3-6H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone has a molecular weight of 257.72 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-morpholin-2-ylethanone is sourced from PubChem (CID 116561672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).