1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone

C15H18N2O3S — CID 7314411

IUPAC1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(S(=O)(=O)c2ccc(C)cc2C)c1C
InChIInChI=1S/C15H18N2O3S/c1-9-6-7-14(10(2)8-9)21(19,20)17-12(4)15(13(5)18)11(3)16-17/h6-8H,1-5H3
InChIKeyQAUNEZZGAMUDPO-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.56
Rot. Bonds3

About 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone

1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone (PubChem CID 7314411) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone
PubChem CID7314411
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(S(=O)(=O)c2ccc(C)cc2C)c1C
InChIInChI=1S/C15H18N2O3S/c1-9-6-7-14(10(2)8-9)21(19,20)17-12(4)15(13(5)18)11(3)16-17/h6-8H,1-5H3
InChIKeyQAUNEZZGAMUDPO-UHFFFAOYSA-N
XLogP2.56
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)sulfonylpyrazole-3-carboxylic acid
CID 71564627
1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole
CID 22771646
3,5-dimethyl-1,4-bis[(2-methylphenyl)sulfonyl]pyrazole
CID 135066481
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
1-[4-acetyl-1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 2243422
3-(2,4-dimethylphenyl)sulfonyl-1,3-oxazolidine
CID 110740045
1-(2,4-dimethylphenyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123877
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
1-[1-(2,4-dimethylphenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 79546130
(3S,4S)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3,4-diol
CID 131932032
1-(3,5-dimethyl-1-phosphanylpyrazol-4-yl)ethanone
CID 90180455
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46634625

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone (CID 7314411) is 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone is CC(=O)c1c(C)nn(S(=O)(=O)c2ccc(C)cc2C)c1C.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone?
The InChIKey is QAUNEZZGAMUDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-6-7-14(10(2)8-9)21(19,20)17-12(4)15(13(5)18)11(3)16-17/h6-8H,1-5H3.
What are the key properties of 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone?
1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone has a molecular weight of 306.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)sulfonyl-3,5-dimethylpyrazol-4-yl]ethanone is sourced from PubChem (CID 7314411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).