1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole

C12H14N2O2S — CID 25248891

IUPAC1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H14N2O2S/c1-9-4-5-12(8-10(9)2)17(15,16)14-7-6-11(3)13-14/h4-8H,1-3H3
InChIKeyWHQSKOWDMHUVMT-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.05
Rot. Bonds2

About 1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole

1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 25248891) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole
PubChem CID25248891
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole
SMILESCc1ccn(S(=O)(=O)c2ccc(C)c(C)c2)n1
InChIInChI=1S/C12H14N2O2S/c1-9-4-5-12(8-10(9)2)17(15,16)14-7-6-11(3)13-14/h4-8H,1-3H3
InChIKeyWHQSKOWDMHUVMT-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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Related Compounds

1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpyrazole
CID 2147482
1-(3,4-dimethylphenyl)sulfonyl-1,2,4-triazole
CID 91901890
1-(3,4-diethoxyphenyl)sulfonyl-3-methylpyrazole
CID 39026767
3-methyl-1-(2,4,6-trimethylphenyl)sulfonylpyrazole
CID 976679
1-(2-bromo-5-chloro-4-methylphenyl)sulfonyl-3-methylpyrazole
CID 138046156
1-(5-ethoxy-2,4-dimethylphenyl)sulfonyl-3-methylpyrazole
CID 6464199
3-methyl-1-(2,3,4-trichlorophenyl)sulfonylpyrazole
CID 2988390
1-tert-butyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 113074853
gallium tris(3,4-dimethylbenzenesulfonate)
CID 22603969
1,2-dimethyl-4-methylsulfonylbenzene;ethane
CID 142336805
tris(3,4-dimethylbenzenesulfonate);indium(3+)
CID 18547268
1-(4-fluoro-3-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 39730131

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole (CID 25248891) is 1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole is Cc1ccn(S(=O)(=O)c2ccc(C)c(C)c2)n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is WHQSKOWDMHUVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-9-4-5-12(8-10(9)2)17(15,16)14-7-6-11(3)13-14/h4-8H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole?
1-(3,4-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-(3,4-dimethylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 25248891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).