N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine

C11H21N3O — CID 103004060

IUPACN-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccnn1C
InChIInChI=1S/C11H21N3O/c1-3-6-12-8-10-15-9-5-11-4-7-13-14(11)2/h4,7,12H,3,5-6,8-10H2,1-2H3
InChIKeyASZBAYUMCAAIKU-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.98
Rot. Bonds8

About N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine

N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine (PubChem CID 103004060) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
PubChem CID103004060
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCc1ccnn1C
InChIInChI=1S/C11H21N3O/c1-3-6-12-8-10-15-9-5-11-4-7-13-14(11)2/h4,7,12H,3,5-6,8-10H2,1-2H3
InChIKeyASZBAYUMCAAIKU-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 N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-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

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 103001408
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
2-ethyl-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014342
2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol
CID 103006541
N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 103015723
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014466
N-[[4-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-yl]methyl]propan-1-amine
CID 103014575
2-(2-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 103014722
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106085796

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine (CID 103004060) is N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine is CCCNCCOCCc1ccnn1C.
What is the InChIKey of N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine?
The InChIKey is ASZBAYUMCAAIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-6-12-8-10-15-9-5-11-4-7-13-14(11)2/h4,7,12H,3,5-6,8-10H2,1-2H3.
What are the key properties of N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine?
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-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 N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 103004060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).