4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine

C14H27N3O2 — CID 105186607

IUPAC4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
SMILESCCNC(CCCOCC)c1c(OC)cnn1CC
InChIInChI=1S/C14H27N3O2/c1-5-15-12(9-8-10-19-7-3)14-13(18-4)11-16-17(14)6-2/h11-12,15H,5-10H2,1-4H3
InChIKeyUBFCTQQVVJXYCB-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.38
Rot. Bonds10

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

4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine (PubChem CID 105186607) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
PubChem CID105186607
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine
SMILESCCNC(CCCOCC)c1c(OC)cnn1CC
InChIInChI=1S/C14H27N3O2/c1-5-15-12(9-8-10-19-7-3)14-13(18-4)11-16-17(14)6-2/h11-12,15H,5-10H2,1-4H3
InChIKeyUBFCTQQVVJXYCB-UHFFFAOYSA-N
XLogP2.38
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanamine
CID 114648667
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-propoxyethanamine
CID 114649117
[3-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propyl]hydrazine
CID 105339460
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4,4-trifluorobutan-1-amine
CID 114658002
N-ethyl-1-(4-methoxy-1-propylpyrazol-5-yl)octan-1-amine
CID 105048951
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216379
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methoxyethoxy)-N-propylpropan-1-amine
CID 102928708
1-(1-ethyl-4-methoxypyrazol-5-yl)pentylhydrazine
CID 105245644
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-3,5,5-trimethylhexan-1-amine
CID 105047933
2-(cyclohexen-1-yl)-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114660885
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine (CID 105186607) is 4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine is CCNC(CCCOCC)c1c(OC)cnn1CC.
What is the InChIKey of 4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine?
The InChIKey is UBFCTQQVVJXYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-15-12(9-8-10-19-7-3)14-13(18-4)11-16-17(14)6-2/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine?
4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)butan-1-amine is sourced from PubChem (CID 105186607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).