1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide

C10H10F3N5O2S — CID 167893513

IUPAC1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O2S/c1-6-3-15-18(2)9(6)21(19,20)17-8-5-14-4-7(16-8)10(11,12)13/h3-5H,1-2H3,(H,16,17)
InChIKeyMAKSMNMOWPONMY-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.34
Rot. Bonds3

About 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide

1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide (PubChem CID 167893513) has the molecular formula C10H10F3N5O2S and a molecular weight of 321.28 g/mol. Its IUPAC name is 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide
PubChem CID167893513
Molecular FormulaC10H10F3N5O2S
Molecular Weight321.28 g/mol
Exact Mass321.05
IUPAC Name1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide
SMILESCc1cnn(C)c1S(=O)(=O)Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O2S/c1-6-3-15-18(2)9(6)21(19,20)17-8-5-14-4-7(16-8)10(11,12)13/h3-5H,1-2H3,(H,16,17)
InChIKeyMAKSMNMOWPONMY-UHFFFAOYSA-N
XLogP1.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-difluoroethyl)-N-methyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
CID 99802705
5-[[4-(Trifluoromethyl)pyrazol-1-yl]methyl]pyrazin-2-amine
CID 113769927
2-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-3-sulfonamide
CID 138047473
1-cyclobutyl-N-(6-fluoropyrazin-2-yl)pyrazole-4-sulfonamide
CID 138047474
1-methyl-N-(5-methylpyrazin-2-yl)-4-(trifluoromethyl)pyrazole-5-sulfonamide
CID 146141244
1-methyl-N-(5-methylpyrazin-2-yl)-3-(trifluoromethyl)pyrazole-5-sulfonamide
CID 146141246
1-methyl-N-(5-methylpyrazin-2-yl)-5-(trifluoromethyl)pyrazole-4-sulfonamide
CID 154782000
1-ethyl-N-pyrazin-2-ylpyrazole-4-sulfonamide
CID 22772912
4-chloro-N-(6-chloropyrazin-2-yl)-1-methylpyrazole-5-sulfonamide
CID 106316280
4-chloro-N-(5-chloropyrazin-2-yl)-1-methylpyrazole-5-sulfonamide
CID 114172658
1,5-dimethyl-N-(5-methylpyrazin-2-yl)pyrazole-4-sulfonamide
CID 146077383
N-(3-cyclopropylpyrazin-2-yl)-1,4-dimethylpyrazole-5-sulfonamide
CID 146103562

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide?
The IUPAC name of 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide (CID 167893513) is 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide.
What is the SMILES notation for 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide?
The canonical SMILES for 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide is Cc1cnn(C)c1S(=O)(=O)Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide?
The InChIKey is MAKSMNMOWPONMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O2S/c1-6-3-15-18(2)9(6)21(19,20)17-8-5-14-4-7(16-8)10(11,12)13/h3-5H,1-2H3,(H,16,17).
What are the key properties of 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide?
1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide has a molecular weight of 321.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-5-sulfonamide is sourced from PubChem (CID 167893513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).