4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine

C11H21N3O — CID 106104646

IUPAC4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCOCCCCNCCc1ccn(C)n1
InChIInChI=1S/C11H21N3O/c1-14-9-6-11(13-14)5-8-12-7-3-4-10-15-2/h6,9,12H,3-5,7-8,10H2,1-2H3
InChIKeyYCXLZURTWUTCDO-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.98
Rot. Bonds8

About 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine

4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine (PubChem CID 106104646) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
PubChem CID106104646
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
SMILESCOCCCCNCCc1ccn(C)n1
InChIInChI=1S/C11H21N3O/c1-14-9-6-11(13-14)5-8-12-7-3-4-10-15-2/h6,9,12H,3-5,7-8,10H2,1-2H3
InChIKeyYCXLZURTWUTCDO-UHFFFAOYSA-N
XLogP0.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-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

2,2-dimethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 106104206
N-[2-(2-methylpropoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104550
2-(2-methoxyethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105035
N',N'-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 106104819
N-[2-(1-methylpyrazol-3-yl)ethyl]but-3-en-1-amine
CID 106104517
N-[2-(1-methylpyrazol-3-yl)ethyl]prop-2-yn-1-amine
CID 106104362
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104626821
3,3-diethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 106104477
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104724
2-(1-methylpyrazol-3-yl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 114143932
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
N-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 104626842

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine?
The IUPAC name of 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine (CID 106104646) is 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine is COCCCCNCCc1ccn(C)n1.
What is the InChIKey of 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine?
The InChIKey is YCXLZURTWUTCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14-9-6-11(13-14)5-8-12-7-3-4-10-15-2/h6,9,12H,3-5,7-8,10H2,1-2H3.
What are the key properties of 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine?
4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine is sourced from PubChem (CID 106104646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).