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

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Related Compounds

3-{1-[1-(2-methyl-4-pyridinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}-1-propanol
CID 29026785
1-[(1-Methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine
CID 29257990
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 46954018
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954055
N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46954082
N,N-dimethyl-N'-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46961967
N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46961974
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
CID 46991461
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(pyridin-2-ylmethyl)morpholine
CID 53555236
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(pyridin-3-ylmethyl)morpholine
CID 53555237
2-[(3,5-Dimethylpyrazol-1-yl)methyl]-4-(2-pyridin-4-ylethyl)morpholine
CID 53556847
2-[(4-Methylpyrazol-1-yl)methyl]-4-(pyridin-2-ylmethyl)morpholine
CID 53565437

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).