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

C15H28N4O — CID 114660849

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H28N4O/c1-6-8-13(16-9-7-2)15-14(20-5)12-17-19(15)11-10-18(3)4/h6,12-13,16H,1,7-11H2,2-5H3
InChIKeyKWRDMXPNWYLVSB-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.07
Rot. Bonds10

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

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine (PubChem CID 114660849) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine
PubChem CID114660849
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C15H28N4O/c1-6-8-13(16-9-7-2)15-14(20-5)12-17-19(15)11-10-18(3)4/h6,12-13,16H,1,7-11H2,2-5H3
InChIKeyKWRDMXPNWYLVSB-UHFFFAOYSA-N
XLogP2.07
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethylbut-3-en-1-amine
CID 114660836
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N-propylbut-3-en-1-amine
CID 114660854
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114651746
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpentan-2-amine
CID 114664610
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648480
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine
CID 114649780
1-(4-methoxy-1-methylpyrazol-5-yl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114657283
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylbutan-1-amine
CID 114651722
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2,2-difluoroethanamine
CID 103517114
2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105225559
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114666830

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine (CID 114660849) is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine is C=CCC(NCCC)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine?
The InChIKey is KWRDMXPNWYLVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-8-13(16-9-7-2)15-14(20-5)12-17-19(15)11-10-18(3)4/h6,12-13,16H,1,7-11H2,2-5H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine?
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine has a molecular weight of 280.42 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine is sourced from PubChem (CID 114660849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).