1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole

C13H16N2O3S — CID 57287286

IUPAC1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCCn1nc(C)cc1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O3S/c1-4-15-13(9-10(2)14-15)19(16,17)12-7-5-11(18-3)6-8-12/h5-9H,4H2,1-3H3
InChIKeyUWBVSRQBOMEONC-UHFFFAOYSA-N
MW280.35 g/mol
LogP2.05
Rot. Bonds4

About 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole

1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole (PubChem CID 57287286) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole
PubChem CID57287286
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCCn1nc(C)cc1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O3S/c1-4-15-13(9-10(2)14-15)19(16,17)12-7-5-11(18-3)6-8-12/h5-9H,4H2,1-3H3
InChIKeyUWBVSRQBOMEONC-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3810310
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-ethoxy-3-fluorobenzenesulfonamide
CID 49678061
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 49738455
4-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-1-((4-(trifluoromethoxy)phenyl)sulfonyl)piperidine
CID 71781254
1,5-Dimethyl-3-[2-(3-methylsulfonylphenoxy)ethoxy]pyrazole
CID 99713410
1-[1-(2-fluorophenyl)-5-(3-methoxyphenyl)sulfonylpyrazol-3-yl]-N-methylmethanamine
CID 68749570
4-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]oxybenzenesulfonyl chloride
CID 87206399
3-[(2,5-Dimethoxyphenyl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 161883788
4-methoxy-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 19577806
5-(4-Methoxyphenyl)sulfonyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 4268462
4-ethoxy-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}benzenesulfonamide
CID 17378927
4-methoxy-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}benzenesulfonamide
CID 19584350

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole (CID 57287286) is 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole is CCn1nc(C)cc1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is UWBVSRQBOMEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-4-15-13(9-10(2)14-15)19(16,17)12-7-5-11(18-3)6-8-12/h5-9H,4H2,1-3H3.
What are the key properties of 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole?
1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 280.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 57287286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).