N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine

C17H33N3O — CID 105048951

IUPACN-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
SMILESCCCCCCCC(NCC)c1c(OC)cnn1CCC
InChIInChI=1S/C17H33N3O/c1-5-8-9-10-11-12-15(18-7-3)17-16(21-4)14-19-20(17)13-6-2/h14-15,18H,5-13H2,1-4H3
InChIKeyZWIGINWDMCBARE-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.31
Rot. Bonds12

About N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine

N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine (PubChem CID 105048951) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
PubChem CID105048951
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
SMILESCCCCCCCC(NCC)c1c(OC)cnn1CCC
InChIInChI=1S/C17H33N3O/c1-5-8-9-10-11-12-15(18-7-3)17-16(21-4)14-19-20(17)13-6-2/h14-15,18H,5-13H2,1-4H3
InChIKeyZWIGINWDMCBARE-UHFFFAOYSA-N
XLogP4.31
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.31
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-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-3,3-dimethylbutan-1-amine
CID 114651925
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)-2-propoxyethanamine
CID 114649130
2-cyclobutyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 103169677
2-cyclohexyl-N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 105048780
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
CID 105186607
[4-chloro-1-(4-methoxy-1-propylpyrazol-5-yl)butyl]hydrazine
CID 105235649
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethylheptan-1-amine
CID 105054478
N-ethyl-2-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114657709
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine?
The IUPAC name of N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine (CID 105048951) is N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine is CCCCCCCC(NCC)c1c(OC)cnn1CCC.
What is the InChIKey of N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine?
The InChIKey is ZWIGINWDMCBARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-8-9-10-11-12-15(18-7-3)17-16(21-4)14-19-20(17)13-6-2/h14-15,18H,5-13H2,1-4H3.
What are the key properties of N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine?
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 4.31, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine is sourced from PubChem (CID 105048951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).