1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide

C12H17N5O2S — CID 106021617

IUPAC1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(CCN)c1)c1ccncc1
InChIInChI=1S/C12H17N5O2S/c1-10(11-2-5-14-6-3-11)16-20(18,19)12-8-15-17(9-12)7-4-13/h2-3,5-6,8-10,16H,4,7,13H2,1H3
InChIKeyZOGYKFKIWCJDLK-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.28
Rot. Bonds6

About 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide (PubChem CID 106021617) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
PubChem CID106021617
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(CCN)c1)c1ccncc1
InChIInChI=1S/C12H17N5O2S/c1-10(11-2-5-14-6-3-11)16-20(18,19)12-8-15-17(9-12)7-4-13/h2-3,5-6,8-10,16H,4,7,13H2,1H3
InChIKeyZOGYKFKIWCJDLK-UHFFFAOYSA-N
XLogP0.28
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106036746
1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide
CID 95738781
1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106084971
1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
CID 79232497
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 114138925
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137
2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43523013
1-(2-aminoethyl)-N-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 115409125
1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 106004407

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide (CID 106021617) is 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cnn(CCN)c1)c1ccncc1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is ZOGYKFKIWCJDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-10(11-2-5-14-6-3-11)16-20(18,19)12-8-15-17(9-12)7-4-13/h2-3,5-6,8-10,16H,4,7,13H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106021617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).