2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone

C13H23N5O2 — CID 119887348

IUPAC2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C13H23N5O2/c1-16-11-12(9-15-16)17-4-6-18(7-5-17)13(19)10-14-3-8-20-2/h9,11,14H,3-8,10H2,1-2H3
InChIKeyNWLVDOMEUUAMNT-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.70
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone

2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone (PubChem CID 119887348) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
PubChem CID119887348
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C13H23N5O2/c1-16-11-12(9-15-16)17-4-6-18(7-5-17)13(19)10-14-3-8-20-2/h9,11,14H,3-8,10H2,1-2H3
InChIKeyNWLVDOMEUUAMNT-UHFFFAOYSA-N
XLogP-0.70
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone (CID 119887348) is 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone is COCCNCC(=O)N1CCN(c2cnn(C)c2)CC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone?
The InChIKey is NWLVDOMEUUAMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-16-11-12(9-15-16)17-4-6-18(7-5-17)13(19)10-14-3-8-20-2/h9,11,14H,3-8,10H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone?
2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone has a molecular weight of 281.36 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119887348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).