2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C10H19N3O — CID 42281907

IUPAC2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1c(C)nn(C)c1C
InChIInChI=1S/C10H19N3O/c1-8-10(7-11-5-6-14-4)9(2)13(3)12-8/h11H,5-7H2,1-4H3
InChIKeyKHYLVJPAICJMIW-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.77
Rot. Bonds5

About 2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 42281907) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID42281907
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1c(C)nn(C)c1C
InChIInChI=1S/C10H19N3O/c1-8-10(7-11-5-6-14-4)9(2)13(3)12-8/h11H,5-7H2,1-4H3
InChIKeyKHYLVJPAICJMIW-UHFFFAOYSA-N
XLogP0.77
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.77
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-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 42281907) is 2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is COCCNCc1c(C)nn(C)c1C.
What is the InChIKey of 2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is KHYLVJPAICJMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8-10(7-11-5-6-14-4)9(2)13(3)12-8/h11H,5-7H2,1-4H3.
What are the key properties of 2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 42281907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).