2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine

C16H31N3O — CID 82924715

IUPAC2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine
SMILESCCC(CC)Cn1nc(C)c(CCNCCOC)c1C
InChIInChI=1S/C16H31N3O/c1-6-15(7-2)12-19-14(4)16(13(3)18-19)8-9-17-10-11-20-5/h15,17H,6-12H2,1-5H3
InChIKeyBGAFIGFCTKHZHD-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.71
Rot. Bonds10

About 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine

2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 82924715) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID82924715
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine
SMILESCCC(CC)Cn1nc(C)c(CCNCCOC)c1C
InChIInChI=1S/C16H31N3O/c1-6-15(7-2)12-19-14(4)16(13(3)18-19)8-9-17-10-11-20-5/h15,17H,6-12H2,1-5H3
InChIKeyBGAFIGFCTKHZHD-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.71
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

N-ethyl-2-[1-[3-(2-methoxyethoxy)propyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 103413495
N-[(1-hexyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 62732261
N-[[1-(2-ethylbutyl)-2-methylpyrrol-3-yl]methyl]-2-methoxyethanamine
CID 114196120
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401288
propan-2-yl 2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 66401684
N-[[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 106717707
N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63513000
3-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylpropan-1-amine
CID 114526188
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]propan-2-amine
CID 63106195
N-[2-[1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79225448
N-(2-ethoxyethyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
CID 62564933
N-(2-methoxyethyl)-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-amine
CID 62567391

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine (CID 82924715) is 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine is CCC(CC)Cn1nc(C)c(CCNCCOC)c1C.
What is the InChIKey of 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is BGAFIGFCTKHZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-15(7-2)12-19-14(4)16(13(3)18-19)8-9-17-10-11-20-5/h15,17H,6-12H2,1-5H3.
What are the key properties of 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine?
2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 281.44 g/mol, XLogP of 2.71, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 82924715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).