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

C13H25N3O — CID 104649614

IUPAC[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine
SMILESCCc1nn(CCCCOC)c(CC)c1CN
InChIInChI=1S/C13H25N3O/c1-4-12-11(10-14)13(5-2)16(15-12)8-6-7-9-17-3/h4-10,14H2,1-3H3
InChIKeyCHIBUEWEANJLIG-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds8

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

[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine (PubChem CID 104649614) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is [3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine
PubChem CID104649614
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine
SMILESCCc1nn(CCCCOC)c(CC)c1CN
InChIInChI=1S/C13H25N3O/c1-4-12-11(10-14)13(5-2)16(15-12)8-6-7-9-17-3/h4-10,14H2,1-3H3
InChIKeyCHIBUEWEANJLIG-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
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-[3,5-diethyl-1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412911
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
CID 113437167
[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]methanamine
CID 83168953
N-[[3,5-diethyl-1-(3-methoxypropyl)pyrazol-4-yl]methyl]ethanamine
CID 82697711
3,5-diethyl-1-(4-methoxybutyl)pyrazole-4-carbaldehyde
CID 104649581
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 104649625
2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 82699797
3,5-diethyl-1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-amine
CID 82702606
1-butyl-4-(chloromethyl)-3,5-diethylpyrazole
CID 82700348
ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate
CID 79220548
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine
CID 82698914
2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
CID 82698599

Frequently Asked Questions

What is the IUPAC name of [3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine (CID 104649614) is [3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine is CCc1nn(CCCCOC)c(CC)c1CN.
What is the InChIKey of [3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine?
The InChIKey is CHIBUEWEANJLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-12-11(10-14)13(5-2)16(15-12)8-6-7-9-17-3/h4-10,14H2,1-3H3.
What are the key properties of [3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine?
[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine has a molecular weight of 239.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 104649614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).