N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine

C11H19N3O2 — CID 104760831

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCOC1(CNCCn2cccn2)CCOC1
InChIInChI=1S/C11H19N3O2/c1-15-11(3-8-16-10-11)9-12-5-7-14-6-2-4-13-14/h2,4,6,12H,3,5,7-10H2,1H3
InChIKeyJWQXSLWCWSPJDF-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.28
Rot. Bonds6

About N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine

N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 104760831) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID104760831
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine
SMILESCOC1(CNCCn2cccn2)CCOC1
InChIInChI=1S/C11H19N3O2/c1-15-11(3-8-16-10-11)9-12-5-7-14-6-2-4-13-14/h2,4,6,12H,3,5,7-10H2,1H3
InChIKeyJWQXSLWCWSPJDF-UHFFFAOYSA-N
XLogP0.28
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine (CID 104760831) is N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine is COC1(CNCCn2cccn2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is JWQXSLWCWSPJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-15-11(3-8-16-10-11)9-12-5-7-14-6-2-4-13-14/h2,4,6,12H,3,5,7-10H2,1H3.
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine?
N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 225.29 g/mol, XLogP of 0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 104760831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).