4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine

C14H27N3O — CID 105148476

IUPAC4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1ccnn1CC
InChIInChI=1S/C14H27N3O/c1-4-10-15-13(8-7-12-18-6-3)14-9-11-16-17(14)5-2/h9,11,13,15H,4-8,10,12H2,1-3H3
InChIKeyYWUWVXAOHXJHGF-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.76
Rot. Bonds10

About 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine

4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine (PubChem CID 105148476) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
PubChem CID105148476
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCOCC)c1ccnn1CC
InChIInChI=1S/C14H27N3O/c1-4-10-15-13(8-7-12-18-6-3)14-9-11-16-17(14)5-2/h9,11,13,15H,4-8,10,12H2,1-3H3
InChIKeyYWUWVXAOHXJHGF-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.76
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-(2-ethylpyrazol-3-yl)pentan-1-amine
CID 79404699
N-ethyl-1-(2-ethylpyrazol-3-yl)-3-propoxypropan-1-amine
CID 105148325
N-ethyl-1-(2-ethylpyrazol-3-yl)-2-propoxyethanamine
CID 63976814
2-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylpentan-1-amine
CID 116718323
1-(4-chloro-1-methylpyrazol-5-yl)-4-ethoxy-N-propylbutan-1-amine
CID 105186139
1-(2-ethylpyrazol-3-yl)-N-methylhexan-1-amine
CID 115858222
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 79411759
4-ethoxy-N-ethyl-1-(2-phenylpyrazol-3-yl)butan-1-amine
CID 107332190
4-ethoxy-1-(4-propan-2-ylphenyl)-N-propylbutan-1-amine
CID 105144890
[2-ethoxy-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105235336
N-ethyl-1-(2-propylpyrazol-3-yl)pentan-1-amine
CID 79405561
N-[1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63977027

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine (CID 105148476) is 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine is CCCNC(CCCOCC)c1ccnn1CC.
What is the InChIKey of 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is YWUWVXAOHXJHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-10-15-13(8-7-12-18-6-3)14-9-11-16-17(14)5-2/h9,11,13,15H,4-8,10,12H2,1-3H3.
What are the key properties of 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine?
4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(2-ethylpyrazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 105148476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).