2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine

C13H23N3O2 — CID 46984579

IUPAC2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1cnn(C)c1)CC1CCOC1
InChIInChI=1S/C13H23N3O2/c1-15-8-13(7-14-15)10-16(4-6-17-2)9-12-3-5-18-11-12/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyWREZXURZOVIGPR-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.90
Rot. Bonds7

About 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine

2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 46984579) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID46984579
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine
SMILESCOCCN(Cc1cnn(C)c1)CC1CCOC1
InChIInChI=1S/C13H23N3O2/c1-15-8-13(7-14-15)10-16(4-6-17-2)9-12-3-5-18-11-12/h7-8,12H,3-6,9-11H2,1-2H3
InChIKeyWREZXURZOVIGPR-UHFFFAOYSA-N
XLogP0.90
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine (CID 46984579) is 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine is COCCN(Cc1cnn(C)c1)CC1CCOC1.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is WREZXURZOVIGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-15-8-13(7-14-15)10-16(4-6-17-2)9-12-3-5-18-11-12/h7-8,12H,3-6,9-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine?
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 253.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 46984579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).