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

C14H28N4O — CID 114651696

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H28N4O/c1-7-11(2)13(15-3)14-12(19-6)10-16-18(14)9-8-17(4)5/h10-11,13,15H,7-9H2,1-6H3
InChIKeyKWFMMUNKXNUBCK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.76
Rot. Bonds8

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

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine (PubChem CID 114651696) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
PubChem CID114651696
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)C(NC)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C14H28N4O/c1-7-11(2)13(15-3)14-12(19-6)10-16-18(14)9-8-17(4)5/h10-11,13,15H,7-9H2,1-6H3
InChIKeyKWFMMUNKXNUBCK-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2-methyl-N-propylbutan-1-amine
CID 114651746
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylpentan-1-amine
CID 105039863
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2,2-difluoroethanamine
CID 103517114
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114666830
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653881
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
2-[5-[furan-2-yl(methylamino)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114649704
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105225559

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine (CID 114651696) is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine is CCC(C)C(NC)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine?
The InChIKey is KWFMMUNKXNUBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-7-11(2)13(15-3)14-12(19-6)10-16-18(14)9-8-17(4)5/h10-11,13,15H,7-9H2,1-6H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine?
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 1.76, 8 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,2-dimethylbutan-1-amine is sourced from PubChem (CID 114651696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).