3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine

C19H28N4O2 — CID 46954061

IUPAC3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOCCCN(Cc1ccccn1)Cc1ccnn1C1CCCCO1
InChIInChI=1S/C19H28N4O2/c1-24-13-6-12-22(15-17-7-2-4-10-20-17)16-18-9-11-21-23(18)19-8-3-5-14-25-19/h2,4,7,9-11,19H,3,5-6,8,12-16H2,1H3
InChIKeySKLAUEWKYPDTIF-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.02
Rot. Bonds9

About 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine

3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 46954061) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID46954061
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOCCCN(Cc1ccccn1)Cc1ccnn1C1CCCCO1
InChIInChI=1S/C19H28N4O2/c1-24-13-6-12-22(15-17-7-2-4-10-20-17)16-18-9-11-21-23(18)19-8-3-5-14-25-19/h2,4,7,9-11,19H,3,5-6,8,12-16H2,1H3
InChIKeySKLAUEWKYPDTIF-UHFFFAOYSA-N
XLogP3.02
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-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-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine (CID 46954061) is 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine is COCCCN(Cc1ccccn1)Cc1ccnn1C1CCCCO1.
What is the InChIKey of 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is SKLAUEWKYPDTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-24-13-6-12-22(15-17-7-2-4-10-20-17)16-18-9-11-21-23(18)19-8-3-5-14-25-19/h2,4,7,9-11,19H,3,5-6,8,12-16H2,1H3.
What are the key properties of 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine?
3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 344.46 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 46954061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).