1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide

C11H14BrN5O2S — CID 106020893

IUPAC1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)Nc2ccc(Br)cn2)cn1
InChIInChI=1S/C11H14BrN5O2S/c12-9-2-3-11(14-6-9)16-20(18,19)10-7-15-17(8-10)5-1-4-13/h2-3,6-8H,1,4-5,13H2,(H,14,16)
InChIKeySUBFXFODYQTFPI-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.19
Rot. Bonds6

About 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide (PubChem CID 106020893) has the molecular formula C11H14BrN5O2S and a molecular weight of 360.24 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide
PubChem CID106020893
Molecular FormulaC11H14BrN5O2S
Molecular Weight360.24 g/mol
Exact Mass359.01
IUPAC Name1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)Nc2ccc(Br)cn2)cn1
InChIInChI=1S/C11H14BrN5O2S/c12-9-2-3-11(14-6-9)16-20(18,19)10-7-15-17(8-10)5-1-4-13/h2-3,6-8H,1,4-5,13H2,(H,14,16)
InChIKeySUBFXFODYQTFPI-UHFFFAOYSA-N
XLogP1.19
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513657
1-(3-aminopropyl)-N-(3-bromo-4-fluorophenyl)pyrazole-4-sulfonamide
CID 106078329
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
1-(3-aminopropyl)-N-(2-fluoro-4-methylphenyl)pyrazole-4-sulfonamide
CID 106031094
5-(aminomethyl)-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-3-sulfonamide
CID 106020628
3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513637
N-[5-(aminomethyl)-2-pyridinyl]-1-methylpyrazole-4-sulfonamide
CID 62353719
1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842
1-[3-(methylamino)propyl]-N-(6-oxo-1H-pyridazin-3-yl)pyrazole-4-sulfonamide
CID 106081763
1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106093615
1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106036746
1-(3-aminopropyl)-N-(4,4-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106068970

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide (CID 106020893) is 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide is NCCCn1cc(S(=O)(=O)Nc2ccc(Br)cn2)cn1.
What is the InChIKey of 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide?
The InChIKey is SUBFXFODYQTFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2S/c12-9-2-3-11(14-6-9)16-20(18,19)10-7-15-17(8-10)5-1-4-13/h2-3,6-8H,1,4-5,13H2,(H,14,16).
What are the key properties of 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide has a molecular weight of 360.24 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(5-bromo-2-pyridinyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106020893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).