1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole

C12H14N2O3S — CID 1085564

IUPAC1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C12H14N2O3S/c1-3-17-11-4-6-12(7-5-11)18(15,16)14-9-8-10(2)13-14/h4-9H,3H2,1-2H3
InChIKeyGHUKHYSMHXVTEF-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.83
Rot. Bonds4

About 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole

1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole (PubChem CID 1085564) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole
PubChem CID1085564
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1
InChIInChI=1S/C12H14N2O3S/c1-3-17-11-4-6-12(7-5-11)18(15,16)14-9-8-10(2)13-14/h4-9H,3H2,1-2H3
InChIKeyGHUKHYSMHXVTEF-UHFFFAOYSA-N
XLogP1.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-Fluoro-2-methoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 977005
1-(2,5-Dimethoxyphenyl)sulfonyl-3-methylpyrazole
CID 1085562
1-((4-chloro-3-methoxyphenyl)sulfonyl)-3-methyl-1H-pyrazole
CID 1583573
1-(3,4-Dimethoxy-benzenesulfonyl)-3,5-dimethyl-1H-pyrazole
CID 769966
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-(2,5-Dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole
CID 2222386
1-[(2-ethoxy-5-methylphenyl)sulfonyl]-3-methyl-1H-pyrazole
CID 2235686
5-(1-phenoxyethyl)-1-(phenylsulfonyl)-1H-pyrazole
CID 3799501
4-{[1-(4-ethoxybenzenesulfonyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}morpholine
CID 16300270
1-(4-Ethoxyphenyl)sulfonyl-3,5-dimethylpyrazole
CID 847006
1-(2,5-Dimethoxyphenyl)sulfonylpyrazole
CID 646938

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole (CID 1085564) is 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole is CCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is GHUKHYSMHXVTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-3-17-11-4-6-12(7-5-11)18(15,16)14-9-8-10(2)13-14/h4-9H,3H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole?
1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 266.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 1085564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).