3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine

C14H28N4O — CID 114666994

IUPAC3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H28N4O/c1-14(2,7-8-15-3)13-12(19-6)11-16-18(13)10-9-17(4)5/h11,15H,7-10H2,1-6H3
InChIKeySONMZLCGLKWWIJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.34
Rot. Bonds8

About 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine

3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine (PubChem CID 114666994) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine
PubChem CID114666994
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)(C)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H28N4O/c1-14(2,7-8-15-3)13-12(19-6)11-16-18(13)10-9-17(4)5/h11,15H,7-10H2,1-6H3
InChIKeySONMZLCGLKWWIJ-UHFFFAOYSA-N
XLogP1.34
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114667004
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]heptan-4-ol
CID 114866248
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-fluoro-5-methoxypentan-1-amine
CID 103392389
3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114666999
1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
CID 114640202
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4,4-dimethylpentan-3-one
CID 114663591
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696
2-[5-(3-chloro-4,4-dimethylpentyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665311
2-[4-methoxy-5-(2,2,2-trifluoro-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105215882

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine (CID 114666994) is 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine is CNCCC(C)(C)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine?
The InChIKey is SONMZLCGLKWWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-14(2,7-8-15-3)13-12(19-6)11-16-18(13)10-9-17(4)5/h11,15H,7-10H2,1-6H3.
What are the key properties of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine?
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 114666994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).