5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide

C7H10N6O3S — CID 106392198

IUPAC5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C7H10N6O3S/c8-7-5(3-10-13-7)17(14,15)12-2-1-6-9-4-11-16-6/h3-4,12H,1-2H2,(H3,8,10,13)
InChIKeyXARGBDCFKWUVFX-UHFFFAOYSA-N
MW258.26 g/mol
LogP-1.10
Rot. Bonds5

About 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106392198) has the molecular formula C7H10N6O3S and a molecular weight of 258.26 g/mol. Its IUPAC name is 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID106392198
Molecular FormulaC7H10N6O3S
Molecular Weight258.26 g/mol
Exact Mass258.05
IUPAC Name5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCc1ncno1
InChIInChI=1S/C7H10N6O3S/c8-7-5(3-10-13-7)17(14,15)12-2-1-6-9-4-11-16-6/h3-4,12H,1-2H2,(H3,8,10,13)
InChIKeyXARGBDCFKWUVFX-UHFFFAOYSA-N
XLogP-1.10
TPSA139.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 106392198) is 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCCc1ncno1.
What is the InChIKey of 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is XARGBDCFKWUVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O3S/c8-7-5(3-10-13-7)17(14,15)12-2-1-6-9-4-11-16-6/h3-4,12H,1-2H2,(H3,8,10,13).
What are the key properties of 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 258.26 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106392198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).