1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone

C11H19N3O3 — CID 114639516

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
SMILESCOCC(=O)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C11H19N3O3/c1-13(2)5-6-14-11(9(15)8-16-3)10(17-4)7-12-14/h7H,5-6,8H2,1-4H3
InChIKeyKQIULDLPBIBQNC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.28
Rot. Bonds7

About 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone (PubChem CID 114639516) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
PubChem CID114639516
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
SMILESCOCC(=O)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C11H19N3O3/c1-13(2)5-6-14-11(9(15)8-16-3)10(17-4)7-12-14/h7H,5-6,8H2,1-4H3
InChIKeyKQIULDLPBIBQNC-UHFFFAOYSA-N
XLogP0.28
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-phenylethanone
CID 114638948
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3,4,4-trimethylpentan-1-one
CID 115803152
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(2-methylpropylsulfanyl)ethanone
CID 114640484
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-(propan-2-ylamino)propan-1-one
CID 114668539
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114668269
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxy-3-methylbutan-1-one
CID 114642562
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-fluorophenyl)methanone
CID 114638833
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone
CID 115803118
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone
CID 114642300

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone (CID 114639516) is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone is COCC(=O)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone?
The InChIKey is KQIULDLPBIBQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-13(2)5-6-14-11(9(15)8-16-3)10(17-4)7-12-14/h7H,5-6,8H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone?
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone has a molecular weight of 241.29 g/mol, XLogP of 0.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone is sourced from PubChem (CID 114639516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).