3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine

C11H20BrN3 — CID 114666999

IUPAC3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
SMILESCCn1ncc(Br)c1C(C)(C)CCNC
InChIInChI=1S/C11H20BrN3/c1-5-15-10(9(12)8-14-15)11(2,3)6-7-13-4/h8,13H,5-7H2,1-4H3
InChIKeyKQBHERCGXHMAGN-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.55
Rot. Bonds5

About 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine

3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine (PubChem CID 114666999) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
PubChem CID114666999
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC Name3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
SMILESCCn1ncc(Br)c1C(C)(C)CCNC
InChIInChI=1S/C11H20BrN3/c1-5-15-10(9(12)8-14-15)11(2,3)6-7-13-4/h8,13H,5-7H2,1-4H3
InChIKeyKQBHERCGXHMAGN-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114666527
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114667004
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-3-methylbutan-1-amine
CID 114667014
2-(4-bromo-1-methylpyrazol-5-yl)-4-(methylamino)butan-2-ol
CID 114665935
3-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 114667019
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(propylamino)propan-2-ol
CID 114666064
2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 114633818
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylbutan-1-amine
CID 114666994
2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638544
2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
CID 84770611
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
2-(4-bromo-1-ethylpyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633949

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine (CID 114666999) is 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine is CCn1ncc(Br)c1C(C)(C)CCNC.
What is the InChIKey of 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is KQBHERCGXHMAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-5-15-10(9(12)8-14-15)11(2,3)6-7-13-4/h8,13H,5-7H2,1-4H3.
What are the key properties of 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine?
3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 274.21 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 114666999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).