N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine

C12H21N3O — CID 65332421

IUPACN-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1CCCOC1
InChIInChI=1S/C12H21N3O/c1-3-13-12(10-5-4-6-16-9-10)11-7-14-15(2)8-11/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyGKUXYTVVAGORCN-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.50
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine

N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 65332421) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID65332421
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1cnn(C)c1)C1CCCOC1
InChIInChI=1S/C12H21N3O/c1-3-13-12(10-5-4-6-16-9-10)11-7-14-15(2)8-11/h7-8,10,12-13H,3-6,9H2,1-2H3
InChIKeyGKUXYTVVAGORCN-UHFFFAOYSA-N
XLogP1.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[(3-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195064
N-[(3-methyltriazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 114688035
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195899
N-[(3-ethylcyclopentyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65410246
N-[(3,4-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195505
N-[(4-cyclobutylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 116506203
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704
N-[(2-ethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65195450
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 65195339

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine (CID 65332421) is N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1cnn(C)c1)C1CCCOC1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is GKUXYTVVAGORCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-13-12(10-5-4-6-16-9-10)11-7-14-15(2)8-11/h7-8,10,12-13H,3-6,9H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65332421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).