1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine

C11H21N3O — CID 105190294

IUPAC1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc(C)nn1C
InChIInChI=1S/C11H21N3O/c1-9-8-11(14(3)13-9)10(12-2)6-5-7-15-4/h8,10,12H,5-7H2,1-4H3
InChIKeyXPSWHUQVMAEXPL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine

1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine (PubChem CID 105190294) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine
PubChem CID105190294
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1cc(C)nn1C
InChIInChI=1S/C11H21N3O/c1-9-8-11(14(3)13-9)10(12-2)6-5-7-15-4/h8,10,12H,5-7H2,1-4H3
InChIKeyXPSWHUQVMAEXPL-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-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-(2,5-dimethylpyrazol-3-yl)-N-methylpentan-1-amine
CID 105125646
1-(2,5-dimethylpyrazol-3-yl)-N-methylheptan-1-amine
CID 105126365
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 105157885
1-(2,5-dimethylpyrazol-3-yl)-N,3-dimethylbutan-1-amine
CID 112709780
3-cyclohexyl-1-(2,5-dimethylpyrazol-3-yl)-N-methylpropan-1-amine
CID 114192965
[1-(2,5-dimethylpyrazol-3-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225066
1-(2,5-dimethylpyrazol-3-yl)octylhydrazine
CID 105293599
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103128359
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114653379
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105180408
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylpyrazol-3-yl)-N-methylmethanamine
CID 105184316

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine (CID 105190294) is 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine is CNC(CCCOC)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine?
The InChIKey is XPSWHUQVMAEXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9-8-11(14(3)13-9)10(12-2)6-5-7-15-4/h8,10,12H,5-7H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine?
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 105190294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).