N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine

C12H23N3O — CID 20605533

IUPACN-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine
SMILESCOCCNCCCn1ccc(C(C)C)n1
InChIInChI=1S/C12H23N3O/c1-11(2)12-5-9-15(14-12)8-4-6-13-7-10-16-3/h5,9,11,13H,4,6-8,10H2,1-3H3
InChIKeyDWPQONKANCBRAW-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.63
Rot. Bonds8

About N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine

N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine (PubChem CID 20605533) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine
PubChem CID20605533
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine
SMILESCOCCNCCCn1ccc(C(C)C)n1
InChIInChI=1S/C12H23N3O/c1-11(2)12-5-9-15(14-12)8-4-6-13-7-10-16-3/h5,9,11,13H,4,6-8,10H2,1-3H3
InChIKeyDWPQONKANCBRAW-UHFFFAOYSA-N
XLogP1.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)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

1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
CID 63961604
3-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989017
4-(1-methyl-1H-pyrazol-5-yl)piperidine
CID 50989018
3-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414416
4-(1-methyl-1H-pyrazol-3-yl)piperidine
CID 82414451
1-methyl-3-(pyrrolidin-3-yl)-1H-pyrazole
CID 82417224
4-(2-Methylpyrazol-3-yl)piperidine;dihydrochloride
CID 92130993
4-(1-methyl-1H-pyrazol-3-yl)piperidine hydrochloride
CID 165595799
1-isobutyl-N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-amine
CID 56716001
3-(5-cyclopropyl-1H-pyrazol-1-yl)propan-1-amine
CID 19619792
2-(5-(piperidin-4-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 50990677

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine (CID 20605533) is N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine is COCCNCCCn1ccc(C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine?
The InChIKey is DWPQONKANCBRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-11(2)12-5-9-15(14-12)8-4-6-13-7-10-16-3/h5,9,11,13H,4,6-8,10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine?
N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(3-propan-2-ylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 20605533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).