4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole

C11H15BrN4O2S — CID 22200710

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2c(C)nn(C)c2C)c(C)c1Br
InChIInChI=1S/C11H15BrN4O2S/c1-6-10(12)8(3)16(14-6)19(17,18)11-7(2)13-15(5)9(11)4/h1-5H3
InChIKeyCOAWPTVXDFXGRG-UHFFFAOYSA-N
MW347.24 g/mol
LogP1.85
Rot. Bonds2

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole

4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole (PubChem CID 22200710) has the molecular formula C11H15BrN4O2S and a molecular weight of 347.24 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole
PubChem CID22200710
Molecular FormulaC11H15BrN4O2S
Molecular Weight347.24 g/mol
Exact Mass346.01
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole
SMILESCc1nn(S(=O)(=O)c2c(C)nn(C)c2C)c(C)c1Br
InChIInChI=1S/C11H15BrN4O2S/c1-6-10(12)8(3)16(14-6)19(17,18)11-7(2)13-15(5)9(11)4/h1-5H3
InChIKeyCOAWPTVXDFXGRG-UHFFFAOYSA-N
XLogP1.85
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole (CID 22200710) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole is Cc1nn(S(=O)(=O)c2c(C)nn(C)c2C)c(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole?
The InChIKey is COAWPTVXDFXGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2S/c1-6-10(12)8(3)16(14-6)19(17,18)11-7(2)13-15(5)9(11)4/h1-5H3.
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole has a molecular weight of 347.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)sulfonyl-1,3,5-trimethylpyrazole is sourced from PubChem (CID 22200710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).