1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine

C11H21N3O — CID 104649601

IUPAC1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(CCCCOC)c1
InChIInChI=1S/C11H21N3O/c1-10(12-2)11-8-13-14(9-11)6-4-5-7-15-3/h8-10,12H,4-7H2,1-3H3
InChIKeyOJIHMFSJLCXSHR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.59
Rot. Bonds7

About 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine

1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine (PubChem CID 104649601) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine
PubChem CID104649601
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1cnn(CCCCOC)c1
InChIInChI=1S/C11H21N3O/c1-10(12-2)11-8-13-14(9-11)6-4-5-7-15-3/h8-10,12H,4-7H2,1-3H3
InChIKeyOJIHMFSJLCXSHR-UHFFFAOYSA-N
XLogP1.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.59
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-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]-N-methylethanamine
CID 103412839
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412841
N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]ethanamine
CID 115518233
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
1-(4-methoxybutyl)pyrazole-4-sulfonyl chloride
CID 104648863
ethane;1-(3-methoxypropyl)pyrazol-4-amine
CID 178006933
1-[1-[(2-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 55108884
2,2,2-trifluoro-1-[1-(4-methoxybutyl)pyrazol-4-yl]ethanone
CID 104649580
1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 113437043
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600
N-[[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 103412837

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine (CID 104649601) is 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine is CNC(C)c1cnn(CCCCOC)c1.
What is the InChIKey of 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine?
The InChIKey is OJIHMFSJLCXSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(12-2)11-8-13-14(9-11)6-4-5-7-15-3/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine?
1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxybutyl)pyrazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 104649601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).