2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

C8H15N3O — CID 43663120

IUPAC2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOCCNCc1ccnn1C
InChIInChI=1S/C8H15N3O/c1-11-8(3-4-10-11)7-9-5-6-12-2/h3-4,9H,5-7H2,1-2H3
InChIKeyVDEZQKWQEXPHQV-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.16
Rot. Bonds5

About 2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine

2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 43663120) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID43663120
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOCCNCc1ccnn1C
InChIInChI=1S/C8H15N3O/c1-11-8(3-4-10-11)7-9-5-6-12-2/h3-4,9H,5-7H2,1-2H3
InChIKeyVDEZQKWQEXPHQV-UHFFFAOYSA-N
XLogP0.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 43663120) is 2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is COCCNCc1ccnn1C.
What is the InChIKey of 2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is VDEZQKWQEXPHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-8(3-4-10-11)7-9-5-6-12-2/h3-4,9H,5-7H2,1-2H3.
What are the key properties of 2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 43663120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).