2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine

C11H19N3O — CID 115821833

IUPAC2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine
SMILESCn1cc(CC(N)C2CCCCO2)cn1
InChIInChI=1S/C11H19N3O/c1-14-8-9(7-13-14)6-10(12)11-4-2-3-5-15-11/h7-8,10-11H,2-6,12H2,1H3
InChIKeySGYYEWAIRVTCIP-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.86
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine

2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine (PubChem CID 115821833) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine
PubChem CID115821833
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine
SMILESCn1cc(CC(N)C2CCCCO2)cn1
InChIInChI=1S/C11H19N3O/c1-14-8-9(7-13-14)6-10(12)11-4-2-3-5-15-11/h7-8,10-11H,2-6,12H2,1H3
InChIKeySGYYEWAIRVTCIP-UHFFFAOYSA-N
XLogP0.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,4-dioxan-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 65352255
1-(7-bicyclo[4.1.0]heptanyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115822001
2-(1-methylpyrazol-4-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105114039
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-(oxan-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991809
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
CID 115809147
2-cyclopentyl-3-(1-methylpyrazol-4-yl)propanoic acid
CID 112569172
2-(5-ethylthiophen-2-yl)-1-(oxan-2-yl)ethanamine
CID 115842655
1-(4-ethylmorpholin-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79666951
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
2-(2-methyltetrazol-5-yl)-1-(oxolan-2-yl)ethanamine
CID 107049445
1,1-difluoro-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 103516463

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine (CID 115821833) is 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine is Cn1cc(CC(N)C2CCCCO2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine?
The InChIKey is SGYYEWAIRVTCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-8-9(7-13-14)6-10(12)11-4-2-3-5-15-11/h7-8,10-11H,2-6,12H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine?
2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine has a molecular weight of 209.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)ethanamine is sourced from PubChem (CID 115821833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).