3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine

C13H25N3O — CID 62725751

IUPAC3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
SMILESCCn1cc(CC(C)(C)CNCCOC)cn1
InChIInChI=1S/C13H25N3O/c1-5-16-10-12(9-15-16)8-13(2,3)11-14-6-7-17-4/h9-10,14H,5-8,11H2,1-4H3
InChIKeyHZHBEJMIXNLABH-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.71
Rot. Bonds8

About 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine

3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine (PubChem CID 62725751) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
PubChem CID62725751
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
SMILESCCn1cc(CC(C)(C)CNCCOC)cn1
InChIInChI=1S/C13H25N3O/c1-5-16-10-12(9-15-16)8-13(2,3)11-14-6-7-17-4/h9-10,14H,5-8,11H2,1-4H3
InChIKeyHZHBEJMIXNLABH-UHFFFAOYSA-N
XLogP1.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159628
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
CID 62724346
1-(1-ethylpyrazol-4-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591662
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 62719344
2-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)butan-1-amine
CID 62718173
N-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 95930021
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62724381
N-[[1-(3,3-dimethylbutyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62729779
2-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-N-methylbutan-1-amine
CID 62723442
2-[(1-ethylpyrazol-4-yl)methyl]-N,2,3-trimethylbutan-1-amine
CID 83159196
2-methoxy-N-[[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]ethanamine
CID 113327305
3-[(1-ethylpyrazol-4-yl)methylamino]-4-methoxy-3-methylbutan-1-ol
CID 111824895

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine (CID 62725751) is 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine is CCn1cc(CC(C)(C)CNCCOC)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine?
The InChIKey is HZHBEJMIXNLABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-16-10-12(9-15-16)8-13(2,3)11-14-6-7-17-4/h9-10,14H,5-8,11H2,1-4H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine?
3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 62725751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).