1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine

C15H29BrN4O — CID 114661659

IUPAC1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine
SMILESCCOC(CC)(CC)C(N)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C15H29BrN4O/c1-6-15(7-2,21-8-3)14(17)13-12(16)11-18-20(13)10-9-19(4)5/h11,14H,6-10,17H2,1-5H3
InChIKeyNVNYDJRWIUYEDA-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.80
Rot. Bonds9

About 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine (PubChem CID 114661659) has the molecular formula C15H29BrN4O and a molecular weight of 361.33 g/mol. Its IUPAC name is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine
PubChem CID114661659
Molecular FormulaC15H29BrN4O
Molecular Weight361.33 g/mol
Exact Mass360.15
IUPAC Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine
SMILESCCOC(CC)(CC)C(N)c1c(Br)cnn1CCN(C)C
InChIInChI=1S/C15H29BrN4O/c1-6-15(7-2,21-8-3)14(17)13-12(16)11-18-20(13)10-9-19(4)5/h11,14H,6-10,17H2,1-5H3
InChIKeyNVNYDJRWIUYEDA-UHFFFAOYSA-N
XLogP2.80
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656523
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 114661716
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethoxy-2-methylbutan-1-amine
CID 114661608
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-2-methylbutan-1-amine
CID 114661598
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxybutan-1-ol
CID 114645586
2-(4-bromo-5-ethoxypyrazol-1-yl)-N,N-dimethylethanamine
CID 170946236
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
2-[5-[amino-(4-methoxyphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114646010
2-[4-bromo-5-(2-ethoxy-1-hydrazinyl-3-methylbutyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105272360

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine?
The IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine (CID 114661659) is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine.
What is the SMILES notation for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine?
The canonical SMILES for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine is CCOC(CC)(CC)C(N)c1c(Br)cnn1CCN(C)C.
What is the InChIKey of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine?
The InChIKey is NVNYDJRWIUYEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29BrN4O/c1-6-15(7-2,21-8-3)14(17)13-12(16)11-18-20(13)10-9-19(4)5/h11,14H,6-10,17H2,1-5H3.
What are the key properties of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine?
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine has a molecular weight of 361.33 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine is sourced from PubChem (CID 114661659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).