1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine

C14H27N3O2 — CID 79495508

IUPAC1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)C(OCC)OCC
InChIInChI=1S/C14H27N3O2/c1-5-8-15-13(14(18-6-2)19-7-3)9-12-10-16-17(4)11-12/h10-11,13-15H,5-9H2,1-4H3
InChIKeyDUNOAOHILDLAHR-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.73
Rot. Bonds10

About 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine

1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine (PubChem CID 79495508) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
PubChem CID79495508
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1cnn(C)c1)C(OCC)OCC
InChIInChI=1S/C14H27N3O2/c1-5-8-15-13(14(18-6-2)19-7-3)9-12-10-16-17(4)11-12/h10-11,13-15H,5-9H2,1-4H3
InChIKeyDUNOAOHILDLAHR-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-1-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 116717153
1-cyclohexyl-1-methoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 116771844
[3-ethoxy-1-(1-methylpyrazol-4-yl)hexan-2-yl]hydrazine
CID 105271422
3-ethoxy-3-methyl-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 116727085
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
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
N-ethyl-3-methyl-1-(1-methylpyrazol-4-yl)hexan-2-amine
CID 115821878
[1,1-diethoxy-3-(1-ethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105246299
N-[1-(4-ethoxyoxan-4-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 116765990
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
N-[1-cyclohexyl-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 62126447

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine (CID 79495508) is 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine is CCCNC(Cc1cnn(C)c1)C(OCC)OCC.
What is the InChIKey of 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The InChIKey is DUNOAOHILDLAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-8-15-13(14(18-6-2)19-7-3)9-12-10-16-17(4)11-12/h10-11,13-15H,5-9H2,1-4H3.
What are the key properties of 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine has a molecular weight of 269.39 g/mol, XLogP of 1.73, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 79495508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).