5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine

C15H27N3O — CID 79597905

IUPAC5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCCC(C)n1ccc(CC=CCCNCCOC)n1
InChIInChI=1S/C15H27N3O/c1-4-14(2)18-12-9-15(17-18)8-6-5-7-10-16-11-13-19-3/h5-6,9,12,14,16H,4,7-8,10-11,13H2,1-3H3
InChIKeyQUTKOEBCVJCOHP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.58
Rot. Bonds10

About 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine

5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine (PubChem CID 79597905) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
PubChem CID79597905
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine
SMILESCCC(C)n1ccc(CC=CCCNCCOC)n1
InChIInChI=1S/C15H27N3O/c1-4-14(2)18-12-9-15(17-18)8-6-5-7-10-16-11-13-19-3/h5-6,9,12,14,16H,4,7-8,10-11,13H2,1-3H3
InChIKeyQUTKOEBCVJCOHP-UHFFFAOYSA-N
XLogP2.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
CID 79598548
5-(1-butan-2-ylpyrazol-3-yl)-N-propylpent-3-en-1-amine
CID 79590829
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 64799338
N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine
CID 79598410
N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79762322
N-(2-methoxyethyl)-3-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64778111
N-(2-methoxyethyl)-5-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pent-3-en-1-amine
CID 79599180
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
2-[2-[(1-butan-2-ylpyrazol-3-yl)methylamino]ethoxy]acetamide
CID 106237971
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 64800314
3-(4-bromo-3-methylbutyl)-1-butan-2-ylpyrazole
CID 64778961
N-(2-methoxyethyl)-5-(2-propyl-1,2,4-triazol-3-yl)pent-3-en-1-amine
CID 79598149

Frequently Asked Questions

What is the IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The IUPAC name of 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine (CID 79597905) is 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The canonical SMILES for 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine is CCC(C)n1ccc(CC=CCCNCCOC)n1.
What is the InChIKey of 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine?
The InChIKey is QUTKOEBCVJCOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-14(2)18-12-9-15(17-18)8-6-5-7-10-16-11-13-19-3/h5-6,9,12,14,16H,4,7-8,10-11,13H2,1-3H3.
What are the key properties of 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine?
5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butan-2-ylpyrazol-3-yl)-N-(2-methoxyethyl)pent-3-en-1-amine is sourced from PubChem (CID 79597905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).