1-(benzenesulfonyl)-3,5-dimethylpyrazole

C11H12N2O2S — CID 757430

IUPAC1-(benzenesulfonyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H12N2O2S/c1-9-8-10(2)13(12-9)16(14,15)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyGNURERHDVMTODN-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.74
Rot. Bonds2

About 1-(benzenesulfonyl)-3,5-dimethylpyrazole

1-(benzenesulfonyl)-3,5-dimethylpyrazole (PubChem CID 757430) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3,5-dimethylpyrazole
PubChem CID757430
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-(benzenesulfonyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C11H12N2O2S/c1-9-8-10(2)13(12-9)16(14,15)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyGNURERHDVMTODN-UHFFFAOYSA-N
XLogP1.74
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonamide
CID 706169
3,5-Dimethyl-1-(toluene-4-sulfonyl)-1H-pyrazole
CID 261702
1-[(4-fluorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 683290
1-[(4-chlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 791827
3,5-Dimethyl-1-(2-nitrophenyl)sulfonylpyrazole
CID 802372
1-[(2,5-dichlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 2847848
(E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole
CID 5389252
3,5-Dimethyl-1-(3-nitrophenyl)sulfonylpyrazole
CID 747361
1-(4-tert-butylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 891839
1-Benzylsulfonyl-3,5-dimethylpyrazole
CID 658313
1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole
CID 5324098
1-[(2,3-dichlorophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
CID 804692

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(benzenesulfonyl)-3,5-dimethylpyrazole (CID 757430) is 1-(benzenesulfonyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccccc2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-3,5-dimethylpyrazole?
The InChIKey is GNURERHDVMTODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-9-8-10(2)13(12-9)16(14,15)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-3,5-dimethylpyrazole?
1-(benzenesulfonyl)-3,5-dimethylpyrazole has a molecular weight of 236.30 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 757430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).