N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine

C12H21N3O — CID 115699091

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1ccnn1C)C1CCOCC1
InChIInChI=1S/C12H21N3O/c1-10(11-4-7-16-8-5-11)13-9-12-3-6-14-15(12)2/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeyYJYJDXYLBRWYDK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.32
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine

N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 115699091) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID115699091
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC(NCc1ccnn1C)C1CCOCC1
InChIInChI=1S/C12H21N3O/c1-10(11-4-7-16-8-5-11)13-9-12-3-6-14-15(12)2/h3,6,10-11,13H,4-5,7-9H2,1-2H3
InChIKeyYJYJDXYLBRWYDK-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 115769814
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445
1,3-dimethyl-6-[[1-(oxan-4-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 103914785
(1S)-1-cycloheptyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104587715
1-cyclopropyl-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)ethanamine
CID 115976238
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 113260324
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 60920797
(1S)-1-(oxan-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 97065320
1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103769065
N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655308
N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115671266

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine (CID 115699091) is N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine is CC(NCc1ccnn1C)C1CCOCC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is YJYJDXYLBRWYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(11-4-7-16-8-5-11)13-9-12-3-6-14-15(12)2/h3,6,10-11,13H,4-5,7-9H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115699091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).