2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine

C9H10BrN3S — CID 82488410

IUPAC2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1cc(-c2cc(Br)cs2)n[nH]1
InChIInChI=1S/C9H10BrN3S/c10-6-3-9(14-5-6)8-4-7(1-2-11)12-13-8/h3-5H,1-2,11H2,(H,12,13)
InChIKeyMVYVXSZDUYCFOI-UHFFFAOYSA-N
MW272.17 g/mol
LogP2.40
Rot. Bonds3

About 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine

2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 82488410) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
PubChem CID82488410
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1cc(-c2cc(Br)cs2)n[nH]1
InChIInChI=1S/C9H10BrN3S/c10-6-3-9(14-5-6)8-4-7(1-2-11)12-13-8/h3-5H,1-2,11H2,(H,12,13)
InChIKeyMVYVXSZDUYCFOI-UHFFFAOYSA-N
XLogP2.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazole
CID 116856607
5-(4-bromothiophen-2-yl)-1H-pyrazol-3-amine
CID 82478306
[3-(4-bromothiophen-2-yl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82488409
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 96668220
2-[4-(4-bromothiophen-2-yl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82490213
2-[4-(4-bromothiophen-2-yl)-2-methylimidazol-1-yl]ethanamine
CID 82307623
[6-(4-bromothiophen-2-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857651
[3-(4-bromo-2-fluorophenyl)-1H-pyrazol-5-yl]methanamine
CID 82973962
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]ethanethiol
CID 116965991
N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 107355309
2-[4-(4-bromothiophen-2-yl)-5-chloro-1-methylimidazol-2-yl]ethanamine
CID 84604361

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine (CID 82488410) is 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine is NCCc1cc(-c2cc(Br)cs2)n[nH]1.
What is the InChIKey of 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is MVYVXSZDUYCFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3S/c10-6-3-9(14-5-6)8-4-7(1-2-11)12-13-8/h3-5H,1-2,11H2,(H,12,13).
What are the key properties of 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine?
2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 272.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromothiophen-2-yl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 82488410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).