3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole

C14H18N2O2S — CID 802097

IUPAC3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cc(C)c(C)cc2C)n1
InChIInChI=1S/C14H18N2O2S/c1-9-6-11(3)14(7-10(9)2)19(17,18)16-13(5)8-12(4)15-16/h6-8H,1-5H3
InChIKeyQKPJQTWDLVXDIF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.66
Rot. Bonds2

About 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole

3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole (PubChem CID 802097) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole
PubChem CID802097
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2cc(C)c(C)cc2C)n1
InChIInChI=1S/C14H18N2O2S/c1-9-6-11(3)14(7-10(9)2)19(17,18)16-13(5)8-12(4)15-16/h6-8H,1-5H3
InChIKeyQKPJQTWDLVXDIF-UHFFFAOYSA-N
XLogP2.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.66
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
3,5-dimethyl-1-[(2,3,4-trimethylphenyl)sulfonyl]-1H-pyrazole
CID 802226
3,5-Dimethyl-1-[(7-methyl-2-naphthalenyl)sulfonyl]pyrazole
CID 804693
4-Bromo-3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole
CID 3242673
3,5-Dimethyl-1-(naphthalene-2-sulfonyl)-1H-pyrazole
CID 702520
1-(4-tert-butylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 891839
4-bromo-1-(mesitylsulfonyl)-3,5-dimethyl-1H-pyrazole
CID 1292991
1-(3,4-Dimethyl-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 786057
3,4,5-trimethyl-1-tosyl-1H-pyrazole
CID 6464030
3-Methyl-1-(4-methylphenyl)sulfonyl-5-phenylpyrazole
CID 70671351
1-(2,5-Dimethylphenyl)sulfonyl-3-methylpyrazole
CID 2143106
1-(4-Iodo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 2855361

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole?
The IUPAC name of 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole (CID 802097) is 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole is Cc1cc(C)n(S(=O)(=O)c2cc(C)c(C)cc2C)n1.
What is the InChIKey of 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole?
The InChIKey is QKPJQTWDLVXDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-6-11(3)14(7-10(9)2)19(17,18)16-13(5)8-12(4)15-16/h6-8H,1-5H3.
What are the key properties of 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole?
3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole has a molecular weight of 278.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2,4,5-trimethylphenyl)sulfonylpyrazole is sourced from PubChem (CID 802097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).