2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine

C13H23N3O — CID 65334757

IUPAC2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCCn1cc(CC(NC)C2CCOCC2)cn1
InChIInChI=1S/C13H23N3O/c1-3-16-10-11(9-15-16)8-13(14-2)12-4-6-17-7-5-12/h9-10,12-14H,3-8H2,1-2H3
InChIKeyXFJOIEUYMDEQCN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.46
Rot. Bonds5

About 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine

2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine (PubChem CID 65334757) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine
PubChem CID65334757
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCCn1cc(CC(NC)C2CCOCC2)cn1
InChIInChI=1S/C13H23N3O/c1-3-16-10-11(9-15-16)8-13(14-2)12-4-6-17-7-5-12/h9-10,12-14H,3-8H2,1-2H3
InChIKeyXFJOIEUYMDEQCN-UHFFFAOYSA-N
XLogP1.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-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-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
1-(2,2-dimethylcyclopropyl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 107004226
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
N-[1-(4-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 65393126
1-(4-ethylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65393940
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 115998211
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 103346014
[1-cyclobutyl-3-(1-ethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 103170429
2-(3,5-difluorophenyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936078
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934
[2-(1-ethylpyrazol-4-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl]hydrazine
CID 105234594

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine (CID 65334757) is 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine is CCn1cc(CC(NC)C2CCOCC2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine?
The InChIKey is XFJOIEUYMDEQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-10-11(9-15-16)8-13(14-2)12-4-6-17-7-5-12/h9-10,12-14H,3-8H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine?
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-N-methyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 65334757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).