2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine

C11H21N3O2 — CID 114662835

IUPAC2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCn1ncc(OC)c1CCNCCOC
InChIInChI=1S/C11H21N3O2/c1-4-14-10(11(16-3)9-13-14)5-6-12-7-8-15-2/h9,12H,4-8H2,1-3H3
InChIKeyDINXEMXUFXZAMK-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.69
Rot. Bonds8

About 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine

2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 114662835) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID114662835
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine
SMILESCCn1ncc(OC)c1CCNCCOC
InChIInChI=1S/C11H21N3O2/c1-4-14-10(11(16-3)9-13-14)5-6-12-7-8-15-2/h9,12H,4-8H2,1-3H3
InChIKeyDINXEMXUFXZAMK-UHFFFAOYSA-N
XLogP0.69
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.69
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine (CID 114662835) is 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine is CCn1ncc(OC)c1CCNCCOC.
What is the InChIKey of 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is DINXEMXUFXZAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-14-10(11(16-3)9-13-14)5-6-12-7-8-15-2/h9,12H,4-8H2,1-3H3.
What are the key properties of 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine?
2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methoxypyrazol-5-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 114662835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).