1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine

C17H33N3O — CID 105047878

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1c(OC)cnn1CC
InChIInChI=1S/C17H33N3O/c1-5-7-8-9-10-11-12-13-15(18-3)17-16(21-4)14-19-20(17)6-2/h14-15,18H,5-13H2,1-4H3
InChIKeyIMHRLMHYOGIGLT-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.31
Rot. Bonds12

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine (PubChem CID 105047878) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
PubChem CID105047878
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1c(OC)cnn1CC
InChIInChI=1S/C17H33N3O/c1-5-7-8-9-10-11-12-13-15(18-3)17-16(21-4)14-19-20(17)6-2/h14-15,18H,5-13H2,1-4H3
InChIKeyIMHRLMHYOGIGLT-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

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105046852
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)pentylhydrazine
CID 105245644
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105186575
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105186645
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine (CID 105047878) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)c1c(OC)cnn1CC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine?
The InChIKey is IMHRLMHYOGIGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-5-7-8-9-10-11-12-13-15(18-3)17-16(21-4)14-19-20(17)6-2/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-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 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine is sourced from PubChem (CID 105047878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).