2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine

C9H17N3O2 — CID 116793733

IUPAC2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
SMILESCOCCNCCOc1cnn(C)c1
InChIInChI=1S/C9H17N3O2/c1-12-8-9(7-11-12)14-6-4-10-3-5-13-2/h7-8,10H,3-6H2,1-2H3
InChIKeyAASGNVDDZWLQNG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.03
Rot. Bonds7

About 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine

2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine (PubChem CID 116793733) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
PubChem CID116793733
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine
SMILESCOCCNCCOc1cnn(C)c1
InChIInChI=1S/C9H17N3O2/c1-12-8-9(7-11-12)14-6-4-10-3-5-13-2/h7-8,10H,3-6H2,1-2H3
InChIKeyAASGNVDDZWLQNG-UHFFFAOYSA-N
XLogP0.03
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116793723
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)oxypropan-1-amine
CID 116793712
N-[2-(1-methylpyrazol-4-yl)oxyethyl]cyclopentanamine
CID 116793724
3-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793697
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
2-methyl-N-[2-(1-methylpyrazol-4-yl)oxyethyl]butan-2-amine
CID 116793754
1-methyl-4-(2-phenoxyethoxy)pyrazole
CID 115753034
4-(1-methylpyrazol-4-yl)oxybutane-1-thiol
CID 116794342
1-methyl-4-(2-propoxyethoxy)pyrazole
CID 106458442
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086
2-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
CID 65198270

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine?
The IUPAC name of 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine (CID 116793733) is 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine is COCCNCCOc1cnn(C)c1.
What is the InChIKey of 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine?
The InChIKey is AASGNVDDZWLQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-12-8-9(7-11-12)14-6-4-10-3-5-13-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine?
2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine has a molecular weight of 199.25 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1-methylpyrazol-4-yl)oxyethyl]ethanamine is sourced from PubChem (CID 116793733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).