2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine

C10H18BrN3O2S — CID 81176258

IUPAC2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine
SMILESCCc1nn(CC)c(CS(=O)(=O)CCN)c1Br
InChIInChI=1S/C10H18BrN3O2S/c1-3-8-10(11)9(14(4-2)13-8)7-17(15,16)6-5-12/h3-7,12H2,1-2H3
InChIKeyAISOJDQNJHKTLN-UHFFFAOYSA-N
MW324.24 g/mol
LogP1.10
Rot. Bonds6

About 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine

2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine (PubChem CID 81176258) has the molecular formula C10H18BrN3O2S and a molecular weight of 324.24 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine.

Molecular Properties

Compound Name2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine
PubChem CID81176258
Molecular FormulaC10H18BrN3O2S
Molecular Weight324.24 g/mol
Exact Mass323.03
IUPAC Name2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine
SMILESCCc1nn(CC)c(CS(=O)(=O)CCN)c1Br
InChIInChI=1S/C10H18BrN3O2S/c1-3-8-10(11)9(14(4-2)13-8)7-17(15,16)6-5-12/h3-7,12H2,1-2H3
InChIKeyAISOJDQNJHKTLN-UHFFFAOYSA-N
XLogP1.10
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1,3-diethylpyrazol-5-yl)-3-methylsulfonylpropan-2-one
CID 112694982
2-[3,5-diethyl-1-(3-ethylsulfonylpropyl)pyrazol-4-yl]ethanamine
CID 82698599
4-amino-1-(4-bromo-1,3-diethylpyrazol-5-yl)pentan-2-one
CID 116555845
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603664
2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 79224877
4-bromo-5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1,3-diethylpyrazole
CID 79448216
3-(4-bromo-1,3-diethylpyrazol-5-yl)-2-(4-methylphenyl)propan-1-amine
CID 79430400
[2-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cycloheptyl]methanamine
CID 81011059
[3-(4-bromo-1,3-diethylpyrazol-5-yl)-1,1-dimethoxypropan-2-yl]hydrazine
CID 105246129
N'-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79667456
4-bromo-1,3-diethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)pyrazole
CID 102722648
4-bromo-5-[2-(chloromethyl)butyl]-1,3-diethylpyrazole
CID 66033443

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine?
The IUPAC name of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine (CID 81176258) is 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine.
What is the SMILES notation for 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine?
The canonical SMILES for 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine is CCc1nn(CC)c(CS(=O)(=O)CCN)c1Br.
What is the InChIKey of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine?
The InChIKey is AISOJDQNJHKTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3O2S/c1-3-8-10(11)9(14(4-2)13-8)7-17(15,16)6-5-12/h3-7,12H2,1-2H3.
What are the key properties of 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine?
2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine has a molecular weight of 324.24 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-diethylpyrazol-5-yl)methylsulfonyl]ethanamine is sourced from PubChem (CID 81176258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).