1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine

C17H33N3O — CID 104649625

IUPAC1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(CC)nn(CCCCOC)c1CC
InChIInChI=1S/C17H33N3O/c1-6-14(18-9-4)17-15(7-2)19-20(16(17)8-3)12-10-11-13-21-5/h14,18H,6-13H2,1-5H3
InChIKeyXMDHWVWPOHFQMP-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.50
Rot. Bonds11

About 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine

1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 104649625) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID104649625
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(CC)nn(CCCCOC)c1CC
InChIInChI=1S/C17H33N3O/c1-6-14(18-9-4)17-15(7-2)19-20(16(17)8-3)12-10-11-13-21-5/h14,18H,6-13H2,1-5H3
InChIKeyXMDHWVWPOHFQMP-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
CID 113437167
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 82700574
1-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 82696841
1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 82926182
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700734
[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine
CID 104649614
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 82698134
3,5-diethyl-1-(4-methoxybutyl)pyrazole-4-carbaldehyde
CID 104649581
N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697711
1-[1-(4-methoxybutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 104649593
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine (CID 104649625) is 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1c(CC)nn(CCCCOC)c1CC.
What is the InChIKey of 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is XMDHWVWPOHFQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-14(18-9-4)17-15(7-2)19-20(16(17)8-3)12-10-11-13-21-5/h14,18H,6-13H2,1-5H3.
What are the key properties of 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine?
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 104649625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).