1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine

C8H15N3O — CID 82706207

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
SMILESCONC(C)c1cn(C)nc1C
InChIInChI=1S/C8H15N3O/c1-6-8(5-11(3)9-6)7(2)10-12-4/h5,7,10H,1-4H3
InChIKeyFQXLXRTVFWNTMF-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.94
Rot. Bonds3

About 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine (PubChem CID 82706207) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
PubChem CID82706207
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine
SMILESCONC(C)c1cn(C)nc1C
InChIInChI=1S/C8H15N3O/c1-6-8(5-11(3)9-6)7(2)10-12-4/h5,7,10H,1-4H3
InChIKeyFQXLXRTVFWNTMF-UHFFFAOYSA-N
XLogP0.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine (CID 82706207) is 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine is CONC(C)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine?
The InChIKey is FQXLXRTVFWNTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6-8(5-11(3)9-6)7(2)10-12-4/h5,7,10H,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine has a molecular weight of 169.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-methoxyethanamine is sourced from PubChem (CID 82706207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).