1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol

C13H26N4O2 — CID 114665822

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
SMILESCCCNCC(O)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C13H26N4O2/c1-5-6-14-9-11(18)13-12(19-4)10-15-17(13)8-7-16(2)3/h10-11,14,18H,5-9H2,1-4H3
InChIKeyNDZZNRPATFDWNJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.49
Rot. Bonds9

About 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol (PubChem CID 114665822) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
PubChem CID114665822
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
SMILESCCCNCC(O)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C13H26N4O2/c1-5-6-14-9-11(18)13-12(19-4)10-15-17(13)8-7-16(2)3/h10-11,14,18H,5-9H2,1-4H3
InChIKeyNDZZNRPATFDWNJ-UHFFFAOYSA-N
XLogP0.49
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114666830
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114651746
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
CID 114636576
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine
CID 114660849
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpentan-2-amine
CID 114664610
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2,2-difluoroethanamine
CID 103517114

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol (CID 114665822) is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol is CCCNCC(O)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol?
The InChIKey is NDZZNRPATFDWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-5-6-14-9-11(18)13-12(19-4)10-15-17(13)8-7-16(2)3/h10-11,14,18H,5-9H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol?
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol has a molecular weight of 270.38 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol is sourced from PubChem (CID 114665822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).