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

C14H27N3O — CID 116717153

IUPAC3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)C(CC)OCC
InChIInChI=1S/C14H27N3O/c1-5-8-15-13(14(6-2)18-7-3)9-12-10-16-17(4)11-12/h10-11,13-15H,5-9H2,1-4H3
InChIKeyHTYYDWAMZIUWOV-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.15
Rot. Bonds9

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

3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine (PubChem CID 116717153) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
PubChem CID116717153
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)C(CC)OCC
InChIInChI=1S/C14H27N3O/c1-5-8-15-13(14(6-2)18-7-3)9-12-10-16-17(4)11-12/h10-11,13-15H,5-9H2,1-4H3
InChIKeyHTYYDWAMZIUWOV-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 79495508
[3-ethoxy-1-(1-methylpyrazol-4-yl)hexan-2-yl]hydrazine
CID 105271422
3-ethoxy-N-propyl-1-pyridin-4-ylpentan-2-amine
CID 116717105
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 116771844
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 65141127
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62126818
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 115821878
N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116765990

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine (CID 116717153) is 3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine is CCCNC(Cc1cnn(C)c1)C(CC)OCC.
What is the InChIKey of 3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine?
The InChIKey is HTYYDWAMZIUWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-5-8-15-13(14(6-2)18-7-3)9-12-10-16-17(4)11-12/h10-11,13-15H,5-9H2,1-4H3.
What are the key properties of 3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine?
3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 116717153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).