4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine

C13H25N3O — CID 105160159

IUPAC4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
SMILESCCOCCC(Cc1cc(CC)nn1C)NC
InChIInChI=1S/C13H25N3O/c1-5-11-9-13(16(4)15-11)10-12(14-3)7-8-17-6-2/h9,12,14H,5-8,10H2,1-4H3
InChIKeyQSWULGFPVYHAOX-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.54
Rot. Bonds8

About 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine

4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine (PubChem CID 105160159) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
PubChem CID105160159
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
SMILESCCOCCC(Cc1cc(CC)nn1C)NC
InChIInChI=1S/C13H25N3O/c1-5-11-9-13(16(4)15-11)10-12(14-3)7-8-17-6-2/h9,12,14H,5-8,10H2,1-4H3
InChIKeyQSWULGFPVYHAOX-UHFFFAOYSA-N
XLogP1.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.54
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

4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol
CID 105107607
4-cyclopentyl-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 104999122
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105161582
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)nonan-2-amine
CID 104999295
3-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N,4-dimethylpentan-2-amine
CID 116721025
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
1-(1,3-diethylpyrazol-5-yl)-N-methylhexan-2-amine
CID 79404804
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999024
1-(2,2-dimethylcyclopropyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 107004635
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-4-ylbutan-2-amine
CID 105160208
1-(4-ethoxyphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 104999140

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine?
The IUPAC name of 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine (CID 105160159) is 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine.
What is the SMILES notation for 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine?
The canonical SMILES for 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine is CCOCCC(Cc1cc(CC)nn1C)NC.
What is the InChIKey of 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine?
The InChIKey is QSWULGFPVYHAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-11-9-13(16(4)15-11)10-12(14-3)7-8-17-6-2/h9,12,14H,5-8,10H2,1-4H3.
What are the key properties of 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine?
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine is sourced from PubChem (CID 105160159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).