1-(4-ethylphenyl)sulfonyl-3-methylpyrazole

C12H14N2O2S — CID 42588626

IUPAC1-(4-ethylphenyl)sulfonyl-3-methylpyrazole
SMILESCCc1ccc(S(=O)(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-11-4-6-12(7-5-11)17(15,16)14-9-8-10(2)13-14/h4-9H,3H2,1-2H3
InChIKeyMWPISVINIYJQQX-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.99
Rot. Bonds3

About 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole

1-(4-ethylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 42588626) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-ethylphenyl)sulfonyl-3-methylpyrazole
PubChem CID42588626
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-(4-ethylphenyl)sulfonyl-3-methylpyrazole
SMILESCCc1ccc(S(=O)(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-11-4-6-12(7-5-11)17(15,16)14-9-8-10(2)13-14/h4-9H,3H2,1-2H3
InChIKeyMWPISVINIYJQQX-UHFFFAOYSA-N
XLogP1.99
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethyl-1-(toluene-4-sulfonyl)-1H-pyrazole
CID 261702
N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6874488
1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 700199
3,5-dimethyl-1-[(2,3,4-trimethylphenyl)sulfonyl]-1H-pyrazole
CID 802226
1-(4-tert-butylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 891839
N-[(E)-(1,5-dimethylpyrazol-4-yl)methylideneamino]-4-methylbenzenesulfonamide
CID 6873460
1-Benzylsulfonyl-3,5-dimethylpyrazole
CID 658313
1-(4-Methylbenzene-1-sulfonyl)-1H-indazole
CID 13170680
1-Tosylpyrozole
CID 320750
[(1E)-2-(1,3-dimethylpyrazol-4-yl)-1-azavinyl][(4-methylphenyl)sulfonyl]amine
CID 6873384
1-(3,4-Dimethyl-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 786057
1-[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-3-methyl-4-phenyl-1H-pyrazole
CID 582055

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole (CID 42588626) is 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole is CCc1ccc(S(=O)(=O)n2ccc(C)n2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is MWPISVINIYJQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-11-4-6-12(7-5-11)17(15,16)14-9-8-10(2)13-14/h4-9H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole?
1-(4-ethylphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 250.32 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 42588626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).