1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine

C17H33N3O — CID 82700734

IUPAC1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(CC)nn(CCOCC)c1CC
InChIInChI=1S/C17H33N3O/c1-6-11-18-14(7-2)17-15(8-3)19-20(16(17)9-4)12-13-21-10-5/h14,18H,6-13H2,1-5H3
InChIKeyTWWJDSBGNOQADR-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.50
Rot. Bonds11

About 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine

1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 82700734) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID82700734
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(CC)nn(CCOCC)c1CC
InChIInChI=1S/C17H33N3O/c1-6-11-18-14(7-2)17-15(8-3)19-20(16(17)9-4)12-13-21-10-5/h14,18H,6-13H2,1-5H3
InChIKeyTWWJDSBGNOQADR-UHFFFAOYSA-N
XLogP3.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.50
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

1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700738
1-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 82696841
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 104649625
1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine
CID 82700730
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 82700574
1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 82926182
1-[1-(2-butoxyethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82698129
3,5-diethyl-1-(2-propoxyethyl)pyrazol-4-amine
CID 106452722
1-[3,5-diethyl-1-(2-methoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 82698134
N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine
CID 82697652
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]propan-1-one
CID 82697993
1-(2-butoxyethyl)-3,5-diethylpyrazol-4-amine
CID 82702120

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine (CID 82700734) is 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1c(CC)nn(CCOCC)c1CC.
What is the InChIKey of 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is TWWJDSBGNOQADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-11-18-14(7-2)17-15(8-3)19-20(16(17)9-4)12-13-21-10-5/h14,18H,6-13H2,1-5H3.
What are the key properties of 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.50, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 82700734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).