1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine

C12H23N3O — CID 105165261

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1cc(CC)nn1C
InChIInChI=1S/C12H23N3O/c1-5-7-16-9-11(13-3)12-8-10(6-2)14-15(12)4/h8,11,13H,5-7,9H2,1-4H3
InChIKeyFXVIMMKWUPZZCA-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.67
Rot. Bonds7

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine

1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine (PubChem CID 105165261) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
PubChem CID105165261
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
SMILESCCCOCC(NC)c1cc(CC)nn1C
InChIInChI=1S/C12H23N3O/c1-5-7-16-9-11(13-3)12-8-10(6-2)14-15(12)4/h8,11,13H,5-7,9H2,1-4H3
InChIKeyFXVIMMKWUPZZCA-UHFFFAOYSA-N
XLogP1.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.67
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-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 105165203
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105127778
3-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylheptan-1-amine
CID 105102750
2-(2,6-dimethylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105174518
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 105078995
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105167615
2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105139407
2-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 105168439
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175625
2-(2,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105117177
1-(3-ethyl-1-methylpyrazol-5-yl)octylhydrazine
CID 105293484
1,2-bis(3-ethyl-1-methylpyrazol-5-yl)ethylhydrazine
CID 105317064

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine (CID 105165261) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine is CCCOCC(NC)c1cc(CC)nn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine?
The InChIKey is FXVIMMKWUPZZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-7-16-9-11(13-3)12-8-10(6-2)14-15(12)4/h8,11,13H,5-7,9H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine is sourced from PubChem (CID 105165261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).