5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide

C12H17N5O2S — CID 82459866

IUPAC5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCC(C)n1ncc(S(=O)(=O)NCc2ccncc2)c1N
InChIInChI=1S/C12H17N5O2S/c1-9(2)17-12(13)11(8-15-17)20(18,19)16-7-10-3-5-14-6-4-10/h3-6,8-9,16H,7,13H2,1-2H3
InChIKeyGEIGPMRIJOOXJI-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.92
Rot. Bonds5

About 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide

5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 82459866) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
PubChem CID82459866
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCC(C)n1ncc(S(=O)(=O)NCc2ccncc2)c1N
InChIInChI=1S/C12H17N5O2S/c1-9(2)17-12(13)11(8-15-17)20(18,19)16-7-10-3-5-14-6-4-10/h3-6,8-9,16H,7,13H2,1-2H3
InChIKeyGEIGPMRIJOOXJI-UHFFFAOYSA-N
XLogP0.92
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Pyridinylmethyl)-1H-pyrazol-5-amine
CID 1096898
4-methyl-1-(pyridin-3-ylmethyl)-1H-pyrazol-5-amine
CID 1096900
N-(2-pyridin-2-ylpyrazol-3-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 76685194
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
6-(4-cyano-5-(neopentylamino)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 44406358
N-[2-(4-methylpyridin-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90286007
1-((pyridin-3-yl)methyl)-1H-pyrazol-5-amine
CID 1096899
6-(4-cyano-3-(difluoromethyl)-5-(2-methylbutylamino)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 44406333
6-(4-cyano-3-(difluoromethyl)-5-(neopentylamino)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 44406356
6-(4-cyano-5-(2-methylbutylamino)-3-(trifluoromethyl)-1H-pyrazol-1-yl)pyridine-3-sulfonamide
CID 44406360
4-(3,4,5-Trimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355560
N-(5-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914762

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide (CID 82459866) is 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide is CC(C)n1ncc(S(=O)(=O)NCc2ccncc2)c1N.
What is the InChIKey of 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is GEIGPMRIJOOXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-9(2)17-12(13)11(8-15-17)20(18,19)16-7-10-3-5-14-6-4-10/h3-6,8-9,16H,7,13H2,1-2H3.
What are the key properties of 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 82459866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).