4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole

C14H18N2O2S — CID 132270559

IUPAC4-ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole
SMILESCCC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)C)C
InChIInChI=1S/C14H18N2O2S/c1-5-14-11(3)15-16(12(14)4)19(17,18)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3
InChIKeyQJPSWHGBIRSRSK-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.40
Rot. Bonds3

About 4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole

4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole (PubChem CID 132270559) has the molecular formula C14H18N2O2S and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole.

Molecular Properties

Compound Name4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole
PubChem CID132270559
Molecular FormulaC14H18N2O2S
Molecular Weight278.37 g/mol
Exact Mass278.11
IUPAC Name4-ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole
SMILESCCC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)C)C
InChIInChI=1S/C14H18N2O2S/c1-5-14-11(3)15-16(12(14)4)19(17,18)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3
InChIKeyQJPSWHGBIRSRSK-UHFFFAOYSA-N
XLogP3.40
TPSA60.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity396

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 700199
3,5-dimethyl-1-[(2,4,5-trimethylphenyl)sulfonyl]-1H-pyrazole
CID 802097
3,5-dimethyl-1-[(2,3,4-trimethylphenyl)sulfonyl]-1H-pyrazole
CID 802226
4-Bromo-3,5-dimethyl-1-(2,3,4-trimethylphenyl)sulfonylpyrazole
CID 3242673
(E)-3,5-dimethyl-1-(styrylsulfonyl)-1H-pyrazole
CID 5389252
3,5-Dimethyl-1-(naphthalene-2-sulfonyl)-1H-pyrazole
CID 702520
1-(benzylsulfonyl)-3,5-dimethyl-1H-pyrazole
CID 658313
3,5-Dimethyl-1-(phenylsulfonyl)-1H-pyrazole
CID 757430
1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole
CID 5324098
1-{[3,5-dimethyl-1-(4-methylbenzenesulfonyl)-1H-pyrazol-4-yl]sulfonyl}azepane
CID 16029697

Frequently Asked Questions

What is the IUPAC name of 4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole?
The IUPAC name of 4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole (CID 132270559) is 4-ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole.
What is the SMILES notation for 4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole?
The canonical SMILES for 4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole is CCC1=C(N(N=C1C)S(=O)(=O)C2=CC=C(C=C2)C)C.
What is the InChIKey of 4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole?
The InChIKey is QJPSWHGBIRSRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-5-14-11(3)15-16(12(14)4)19(17,18)13-8-6-10(2)7-9-13/h6-9H,5H2,1-4H3.
What are the key properties of 4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole?
4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole has a molecular weight of 278.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Ethyl-3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazole is sourced from PubChem (CID 132270559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).