1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine

C14H27N3O — CID 113437167

IUPAC1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCCOC)c(CC)c1C(C)N
InChIInChI=1S/C14H27N3O/c1-5-12-14(11(3)15)13(6-2)17(16-12)9-7-8-10-18-4/h11H,5-10,15H2,1-4H3
InChIKeyPDDSTOOUDNHGPI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.45
Rot. Bonds8

About 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine

1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine (PubChem CID 113437167) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
PubChem CID113437167
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
SMILESCCc1nn(CCCCOC)c(CC)c1C(C)N
InChIInChI=1S/C14H27N3O/c1-5-12-14(11(3)15)13(6-2)17(16-12)9-7-8-10-18-4/h11H,5-10,15H2,1-4H3
InChIKeyPDDSTOOUDNHGPI-UHFFFAOYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.45
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

1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
CID 82696919
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine
CID 83169070
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 104649625
[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine
CID 104649614
3,5-diethyl-1-(4-methoxybutyl)pyrazole-4-carbaldehyde
CID 104649581
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 82698134
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165
1-butyl-4-(1-chloroethyl)-3,5-diethylpyrazole
CID 82699491
1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 106730619
3,5-diethyl-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
CID 82702606
2-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412911

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine (CID 113437167) is 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine is CCc1nn(CCCCOC)c(CC)c1C(C)N.
What is the InChIKey of 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine?
The InChIKey is PDDSTOOUDNHGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-12-14(11(3)15)13(6-2)17(16-12)9-7-8-10-18-4/h11H,5-10,15H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine?
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.45, 8 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]ethanamine is sourced from PubChem (CID 113437167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).