2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine

C13H25N3O — CID 62718173

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CNCCOC)Cc1cnn(CC)c1
InChIInChI=1S/C13H25N3O/c1-4-12(9-14-6-7-17-3)8-13-10-15-16(5-2)11-13/h10-12,14H,4-9H2,1-3H3
InChIKeyITMCEZYGXLGWMU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.71
Rot. Bonds9

About 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine

2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 62718173) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
PubChem CID62718173
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(CNCCOC)Cc1cnn(CC)c1
InChIInChI=1S/C13H25N3O/c1-4-12(9-14-6-7-17-3)8-13-10-15-16(5-2)11-13/h10-12,14H,4-9H2,1-3H3
InChIKeyITMCEZYGXLGWMU-UHFFFAOYSA-N
XLogP1.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.71
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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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62725751
2-benzyl-N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62725650
2-[(3,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 62718496
1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591662
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62724381
2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159628
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
N-(2-methylpropyl)-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62516241
2-[(4-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 107897425
N-[[1-(3,3-dimethylbutyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62729779
3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529282

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine (CID 62718173) is 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine is CCC(CNCCOC)Cc1cnn(CC)c1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is ITMCEZYGXLGWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-12(9-14-6-7-17-3)8-13-10-15-16(5-2)11-13/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine?
2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 62718173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).