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

C9H17N3O — CID 122156784

IUPAC2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCOCCN(C)Cc1ccn[nH]1
InChIInChI=1S/C9H17N3O/c1-3-13-7-6-12(2)8-9-4-5-10-11-9/h4-5H,3,6-8H2,1-2H3,(H,10,11)
InChIKeyQBDWBTYFJACOOP-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.88
Rot. Bonds6

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

2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 122156784) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID122156784
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCOCCN(C)Cc1ccn[nH]1
InChIInChI=1S/C9H17N3O/c1-3-13-7-6-12(2)8-9-4-5-10-11-9/h4-5H,3,6-8H2,1-2H3,(H,10,11)
InChIKeyQBDWBTYFJACOOP-UHFFFAOYSA-N
XLogP0.88
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
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-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 122156784) is 2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine is CCOCCN(C)Cc1ccn[nH]1.
What is the InChIKey of 2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is QBDWBTYFJACOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-13-7-6-12(2)8-9-4-5-10-11-9/h4-5H,3,6-8H2,1-2H3,(H,10,11).
What are the key properties of 2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine?
2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 183.25 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 122156784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).