1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

C9H11N5O2S — CID 22772914

IUPAC1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cnccn2)cnn1C
InChIInChI=1S/C9H11N5O2S/c1-7-8(5-12-14(7)2)17(15,16)13-9-6-10-3-4-11-9/h3-6H,1-2H3,(H,11,13)
InChIKeyQXXJHGCJSKDOAG-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.32
Rot. Bonds3

About 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide

1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (PubChem CID 22772914) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
PubChem CID22772914
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2cnccn2)cnn1C
InChIInChI=1S/C9H11N5O2S/c1-7-8(5-12-14(7)2)17(15,16)13-9-6-10-3-4-11-9/h3-6H,1-2H3,(H,11,13)
InChIKeyQXXJHGCJSKDOAG-UHFFFAOYSA-N
XLogP0.32
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide (CID 22772914) is 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)Nc2cnccn2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
The InChIKey is QXXJHGCJSKDOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-7-8(5-12-14(7)2)17(15,16)13-9-6-10-3-4-11-9/h3-6H,1-2H3,(H,11,13).
What are the key properties of 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide?
1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide has a molecular weight of 253.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 22772914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).