3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

C10H14N6O2S — CID 54921119

IUPAC3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cnccn2)c(N)n1
InChIInChI=1S/C10H14N6O2S/c1-2-5-16-7-8(10(11)14-16)19(17,18)15-9-6-12-3-4-13-9/h3-4,6-7H,2,5H2,1H3,(H2,11,14)(H,13,15)
InChIKeySLRGBCKLLJPXCV-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.47
Rot. Bonds5

About 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (PubChem CID 54921119) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
PubChem CID54921119
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)Nc2cnccn2)c(N)n1
InChIInChI=1S/C10H14N6O2S/c1-2-5-16-7-8(10(11)14-16)19(17,18)15-9-6-12-3-4-13-9/h3-4,6-7H,2,5H2,1H3,(H2,11,14)(H,13,15)
InChIKeySLRGBCKLLJPXCV-UHFFFAOYSA-N
XLogP0.47
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (CID 54921119) is 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)Nc2cnccn2)c(N)n1.
What is the InChIKey of 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The InChIKey is SLRGBCKLLJPXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-2-5-16-7-8(10(11)14-16)19(17,18)15-9-6-12-3-4-13-9/h3-4,6-7H,2,5H2,1H3,(H2,11,14)(H,13,15).
What are the key properties of 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-propyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 54921119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).