1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine

C13H24BrN3O2S — CID 115649886

IUPAC1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1c(Br)c(C)nn1CC)CS(C)(=O)=O
InChIInChI=1S/C13H24BrN3O2S/c1-5-7-15-11(9-20(4,18)19)8-12-13(14)10(3)16-17(12)6-2/h11,15H,5-9H2,1-4H3
InChIKeyQBBYPGQSTKJINX-UHFFFAOYSA-N
MW366.33 g/mol
LogP1.93
Rot. Bonds8

About 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine

1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine (PubChem CID 115649886) has the molecular formula C13H24BrN3O2S and a molecular weight of 366.33 g/mol. Its IUPAC name is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine
PubChem CID115649886
Molecular FormulaC13H24BrN3O2S
Molecular Weight366.33 g/mol
Exact Mass365.08
IUPAC Name1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine
SMILESCCCNC(Cc1c(Br)c(C)nn1CC)CS(C)(=O)=O
InChIInChI=1S/C13H24BrN3O2S/c1-5-7-15-11(9-20(4,18)19)8-12-13(14)10(3)16-17(12)6-2/h11,15H,5-9H2,1-4H3
InChIKeyQBBYPGQSTKJINX-UHFFFAOYSA-N
XLogP1.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104998263
N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105159702
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-propylhexan-2-amine
CID 104998240
4-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-N-ethyl-1-N,1-N-dimethylbutane-1,3-diamine
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N-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
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CID 104998119
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 105000204
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-methylpent-4-en-2-amine
CID 116660574
4-bromo-5-[3-bromo-2-(bromomethyl)propyl]-1-ethyl-3-methylpyrazole
CID 79453099
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine?
The IUPAC name of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine (CID 115649886) is 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine is CCCNC(Cc1c(Br)c(C)nn1CC)CS(C)(=O)=O.
What is the InChIKey of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine?
The InChIKey is QBBYPGQSTKJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3O2S/c1-5-7-15-11(9-20(4,18)19)8-12-13(14)10(3)16-17(12)6-2/h11,15H,5-9H2,1-4H3.
What are the key properties of 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine?
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine has a molecular weight of 366.33 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonyl-N-propylpropan-2-amine is sourced from PubChem (CID 115649886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).