3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine

C10H18BrN3 — CID 114666527

IUPAC3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
SMILESCCn1ncc(Br)c1C(C)(C)CCN
InChIInChI=1S/C10H18BrN3/c1-4-14-9(8(11)7-13-14)10(2,3)5-6-12/h7H,4-6,12H2,1-3H3
InChIKeyJTUQMDKOCBSAHA-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.29
Rot. Bonds4

About 3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine

3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine (PubChem CID 114666527) has the molecular formula C10H18BrN3 and a molecular weight of 260.18 g/mol. Its IUPAC name is 3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
PubChem CID114666527
Molecular FormulaC10H18BrN3
Molecular Weight260.18 g/mol
Exact Mass259.07
IUPAC Name3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine
SMILESCCn1ncc(Br)c1C(C)(C)CCN
InChIInChI=1S/C10H18BrN3/c1-4-14-9(8(11)7-13-14)10(2,3)5-6-12/h7H,4-6,12H2,1-3H3
InChIKeyJTUQMDKOCBSAHA-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-ethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114666999
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-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-ethyl-3-methylbutan-1-amine
CID 114667014
2-(4-bromo-1-ethylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638544
4-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)butan-2-ol
CID 114665909
[(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105336237
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
5-tert-butyl-1-ethyl-4-methylpyrazole
CID 59146019
3-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 114667019
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
4-bromo-1,5-diethylpyrazole
CID 66959053

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine (CID 114666527) is 3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine is CCn1ncc(Br)c1C(C)(C)CCN.
What is the InChIKey of 3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine?
The InChIKey is JTUQMDKOCBSAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3/c1-4-14-9(8(11)7-13-14)10(2,3)5-6-12/h7H,4-6,12H2,1-3H3.
What are the key properties of 3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine?
3-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-amine has a molecular weight of 260.18 g/mol, XLogP of 2.29, 4 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)-3-methylbutan-1-amine is sourced from PubChem (CID 114666527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).