3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid

C11H13N5O4S — CID 63260055

IUPAC3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H13N5O4S/c1-6-9(7(2)16(3)14-6)21(19,20)15-10-8(11(17)18)12-4-5-13-10/h4-5H,1-3H3,(H,13,15)(H,17,18)
InChIKeyFVXCDZQEZLJXPF-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.33
Rot. Bonds4

About 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid

3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid (PubChem CID 63260055) has the molecular formula C11H13N5O4S and a molecular weight of 311.32 g/mol. Its IUPAC name is 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid
PubChem CID63260055
Molecular FormulaC11H13N5O4S
Molecular Weight311.32 g/mol
Exact Mass311.07
IUPAC Name3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1nccnc1C(=O)O
InChIInChI=1S/C11H13N5O4S/c1-6-9(7(2)16(3)14-6)21(19,20)15-10-8(11(17)18)12-4-5-13-10/h4-5H,1-3H3,(H,13,15)(H,17,18)
InChIKeyFVXCDZQEZLJXPF-UHFFFAOYSA-N
XLogP0.33
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654103
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
4,5-dimethoxy-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 45291030
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 19683131
3-(trifluoromethylsulfonylamino)pyrazine-2-carboxylic acid
CID 63259740
2-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380496
2,2-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
CID 47270153
3-(2-methoxyethylsulfonylamino)pyrazine-2-carboxylic acid
CID 55167275

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid (CID 63260055) is 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid is Cc1nn(C)c(C)c1S(=O)(=O)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid?
The InChIKey is FVXCDZQEZLJXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4S/c1-6-9(7(2)16(3)14-6)21(19,20)15-10-8(11(17)18)12-4-5-13-10/h4-5H,1-3H3,(H,13,15)(H,17,18).
What are the key properties of 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid?
3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid has a molecular weight of 311.32 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63260055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).