1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole

C13H16N2O3S — CID 2235686

IUPAC1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1ccc(C)cc1S(=O)(=O)n1ccc(C)n1
InChIInChI=1S/C13H16N2O3S/c1-4-18-12-6-5-10(2)9-13(12)19(16,17)15-8-7-11(3)14-15/h5-9H,4H2,1-3H3
InChIKeyVDMHUEQZLPDDGA-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.14
Rot. Bonds4

About 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole

1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole (PubChem CID 2235686) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole
PubChem CID2235686
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1ccc(C)cc1S(=O)(=O)n1ccc(C)n1
InChIInChI=1S/C13H16N2O3S/c1-4-18-12-6-5-10(2)9-13(12)19(16,17)15-8-7-11(3)14-15/h5-9H,4H2,1-3H3
InChIKeyVDMHUEQZLPDDGA-UHFFFAOYSA-N
XLogP2.14
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Ethoxy-5-propan-2-ylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 850120
1-(2,5-Dimethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085562
6-[(3-methyl-1H-pyrazol-1-yl)sulfonyl]-2H-chromen-2-one
CID 6458794
1-(4-Methoxy-2,5-dimethyl-benzenesulfonyl)-3-methyl-1H-pyrazole
CID 647228
1-(4-Methoxy-3-methyl-benzenesulfonyl)-3-methyl-1H-pyrazole
CID 1085563
1-[(4-ethoxynaphthalen-1-yl)sulfonyl]-3-methyl-1H-pyrazole
CID 2056201
1-(2,5-Dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole
CID 2222386
5-(1-phenoxyethyl)-1-(phenylsulfonyl)-1H-pyrazole
CID 3799501
1-(4-Ethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085564
1-((2-methoxy-5-methylphenyl)sulfonyl)-3,5-dimethyl-1H-pyrazole
CID 839455
1-(2-Ethoxy-5-methylphenyl)sulfonyl-3,5-dimethylpyrazole
CID 850119
4-tert-butyl-2-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]phenyl ethyl ether
CID 850121

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole (CID 2235686) is 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole is CCOc1ccc(C)cc1S(=O)(=O)n1ccc(C)n1.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is VDMHUEQZLPDDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-4-18-12-6-5-10(2)9-13(12)19(16,17)15-8-7-11(3)14-15/h5-9H,4H2,1-3H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole?
1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 280.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 2235686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).