1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole

C15H20N2O2S — CID 891839

IUPAC1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H20N2O2S/c1-11-10-12(2)17(16-11)20(18,19)14-8-6-13(7-9-14)15(3,4)5/h6-10H,1-5H3
InChIKeyAMOBHRVPMMPJSK-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole

1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 891839) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole
PubChem CID891839
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1cc(C)n(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C15H20N2O2S/c1-11-10-12(2)17(16-11)20(18,19)14-8-6-13(7-9-14)15(3,4)5/h6-10H,1-5H3
InChIKeyAMOBHRVPMMPJSK-UHFFFAOYSA-N
XLogP3.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole (CID 891839) is 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole is Cc1cc(C)n(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is AMOBHRVPMMPJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-10-12(2)17(16-11)20(18,19)14-8-6-13(7-9-14)15(3,4)5/h6-10H,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole?
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 292.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 891839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).