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

C13H20ClN3O2 — CID 116576301

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone
SMILESCCc1nn(CC)c(CC(=O)C2COCCN2)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-3-9-13(14)11(17(4-2)16-9)7-12(18)10-8-19-6-5-15-10/h10,15H,3-8H2,1-2H3
InChIKeySQDJNEJSNXMIET-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.22
Rot. Bonds5

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

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone (PubChem CID 116576301) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone
PubChem CID116576301
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone
SMILESCCc1nn(CC)c(CC(=O)C2COCCN2)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-3-9-13(14)11(17(4-2)16-9)7-12(18)10-8-19-6-5-15-10/h10,15H,3-8H2,1-2H3
InChIKeySQDJNEJSNXMIET-UHFFFAOYSA-N
XLogP1.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-2-yl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 116582605
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-ethyl-1,4-dithian-2-yl)ethanone
CID 115385855
2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
CID 107062100
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
1-morpholin-3-ylpropan-1-one
CID 54487560
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977055
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468968
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-piperidin-2-ylethanol
CID 106634560
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-methylpent-3-en-2-one
CID 103455647
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-3-hydroxyhexan-2-one
CID 103458608
1-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethylhex-3-en-2-one
CID 103458953

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone (CID 116576301) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone is CCc1nn(CC)c(CC(=O)C2COCCN2)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone?
The InChIKey is SQDJNEJSNXMIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-3-9-13(14)11(17(4-2)16-9)7-12(18)10-8-19-6-5-15-10/h10,15H,3-8H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone has a molecular weight of 285.77 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-morpholin-3-ylethanone is sourced from PubChem (CID 116576301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).