2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine

C8H15N3O — CID 43662603

IUPAC2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCOCCNCc1ccn[nH]1
InChIInChI=1S/C8H15N3O/c1-2-12-6-5-9-7-8-3-4-10-11-8/h3-4,9H,2,5-7H2,1H3,(H,10,11)
InChIKeyVDZVXTSLPXQSRQ-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.54
Rot. Bonds6

About 2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine

2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 43662603) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID43662603
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCOCCNCc1ccn[nH]1
InChIInChI=1S/C8H15N3O/c1-2-12-6-5-9-7-8-3-4-10-11-8/h3-4,9H,2,5-7H2,1H3,(H,10,11)
InChIKeyVDZVXTSLPXQSRQ-UHFFFAOYSA-N
XLogP0.54
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 43662603) is 2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine is CCOCCNCc1ccn[nH]1.
What is the InChIKey of 2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is VDZVXTSLPXQSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-12-6-5-9-7-8-3-4-10-11-8/h3-4,9H,2,5-7H2,1H3,(H,10,11).
What are the key properties of 2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine?
2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 43662603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).