3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

C12H21N3O2 — CID 43662462

IUPAC3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOCC2CCCO2)[nH]n1
InChIInChI=1S/C12H21N3O2/c1-3-12(17-8-1)10-16-7-2-5-13-9-11-4-6-14-15-11/h4,6,12-13H,1-3,5,7-10H2,(H,14,15)
InChIKeyXMBCMOXYWKZQHV-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.09
Rot. Bonds8

About 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (PubChem CID 43662462) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
PubChem CID43662462
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOCC2CCCO2)[nH]n1
InChIInChI=1S/C12H21N3O2/c1-3-12(17-8-1)10-16-7-2-5-13-9-11-4-6-14-15-11/h4,6,12-13H,1-3,5,7-10H2,(H,14,15)
InChIKeyXMBCMOXYWKZQHV-UHFFFAOYSA-N
XLogP1.09
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (CID 43662462) is 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is c1cc(CNCCCOCC2CCCO2)[nH]n1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The InChIKey is XMBCMOXYWKZQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-12(17-8-1)10-16-7-2-5-13-9-11-4-6-14-15-11/h4,6,12-13H,1-3,5,7-10H2,(H,14,15).
What are the key properties of 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine has a molecular weight of 239.32 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 43662462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).