1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole

C12H14N2O2S — CID 2143106

IUPAC1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccc(C)c(S(=O)(=O)n2ccc(C)n2)c1
InChIInChI=1S/C12H14N2O2S/c1-9-4-5-10(2)12(8-9)17(15,16)14-7-6-11(3)13-14/h4-8H,1-3H3
InChIKeyMBSDBOYBHBYFBT-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.05
Rot. Bonds2

About 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole

1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 2143106) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole
PubChem CID2143106
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccc(C)c(S(=O)(=O)n2ccc(C)n2)c1
InChIInChI=1S/C12H14N2O2S/c1-9-4-5-10(2)12(8-9)17(15,16)14-7-6-11(3)13-14/h4-8H,1-3H3
InChIKeyMBSDBOYBHBYFBT-UHFFFAOYSA-N
XLogP2.05
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole (CID 2143106) is 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole is Cc1ccc(C)c(S(=O)(=O)n2ccc(C)n2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is MBSDBOYBHBYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-4-5-10(2)12(8-9)17(15,16)14-7-6-11(3)13-14/h4-8H,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole?
1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 250.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 2143106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).