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

C16H31N3O — CID 116759325

IUPAC3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cnn(CC)c1)C(C)(CC)OCC
InChIInChI=1S/C16H31N3O/c1-6-10-17-15(16(5,7-2)20-9-4)11-14-12-18-19(8-3)13-14/h12-13,15,17H,6-11H2,1-5H3
InChIKeyNYNLBRSXXGXCRU-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.02
Rot. Bonds10

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

3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine (PubChem CID 116759325) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine
PubChem CID116759325
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cnn(CC)c1)C(C)(CC)OCC
InChIInChI=1S/C16H31N3O/c1-6-10-17-15(16(5,7-2)20-9-4)11-14-12-18-19(8-3)13-14/h12-13,15,17H,6-11H2,1-5H3
InChIKeyNYNLBRSXXGXCRU-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine
CID 103012413
3-ethoxy-3-methyl-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116759285
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085
3-ethoxy-1-(4-fluorophenyl)-3-methyl-N-propylpentan-2-amine
CID 116759306
1-(3,5-difluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 105407062
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
3-ethoxy-3-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116759415
1-(1-ethylpyrazol-4-yl)-N-propyldecan-2-amine
CID 115822163
N-[1-(1-ethylcyclopentyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822846
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934
N-[2-(1-ethylpyrazol-4-yl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 62126609

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine (CID 116759325) is 3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine is CCCNC(Cc1cnn(CC)c1)C(C)(CC)OCC.
What is the InChIKey of 3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine?
The InChIKey is NYNLBRSXXGXCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-10-17-15(16(5,7-2)20-9-4)11-14-12-18-19(8-3)13-14/h12-13,15,17H,6-11H2,1-5H3.
What are the key properties of 3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine?
3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-2-amine is sourced from PubChem (CID 116759325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).