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

C16H32N4O — CID 114666830

IUPAC3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C16H32N4O/c1-7-8-17-11-13(2)14(3)16-15(21-6)12-18-20(16)10-9-19(4)5/h12-14,17H,7-11H2,1-6H3
InChIKeyKZIXCSPCJLPBTA-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.19
Rot. Bonds10

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

3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine (PubChem CID 114666830) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
PubChem CID114666830
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
SMILESCCCNCC(C)C(C)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C16H32N4O/c1-7-8-17-11-13(2)14(3)16-15(21-6)12-18-20(16)10-9-19(4)5/h12-14,17H,7-11H2,1-6H3
InChIKeyKZIXCSPCJLPBTA-UHFFFAOYSA-N
XLogP2.19
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822
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]-N,2-dimethylbutan-1-amine
CID 114651696
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylbutan-1-amine
CID 114651722
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylpentan-2-amine
CID 114664610
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
3-(4-bromo-1-propylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114666827
3-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 114666885
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine
CID 114660849
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2,2-difluoroethanamine
CID 103517114
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylpentan-1-amine
CID 105039863
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
CID 114636576

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine (CID 114666830) is 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine is CCCNCC(C)C(C)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine?
The InChIKey is KZIXCSPCJLPBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-7-8-17-11-13(2)14(3)16-15(21-6)12-18-20(16)10-9-19(4)5/h12-14,17H,7-11H2,1-6H3.
What are the key properties of 3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine?
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine has a molecular weight of 296.46 g/mol, XLogP of 2.19, 10 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]-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 114666830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).