3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole

C15H20N2O4S2 — CID 156769791

IUPAC3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole
SMILESCCCS(=O)(=O)n1nc(C)c(S(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C15H20N2O4S2/c1-5-10-22(18,19)17-13(4)15(12(3)16-17)23(20,21)14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3
InChIKeyURJYXQAITABIDA-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.23
Rot. Bonds5

About 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole

3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole (PubChem CID 156769791) has the molecular formula C15H20N2O4S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole
PubChem CID156769791
Molecular FormulaC15H20N2O4S2
Molecular Weight356.47 g/mol
Exact Mass356.09
IUPAC Name3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole
SMILESCCCS(=O)(=O)n1nc(C)c(S(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C15H20N2O4S2/c1-5-10-22(18,19)17-13(4)15(12(3)16-17)23(20,21)14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3
InChIKeyURJYXQAITABIDA-UHFFFAOYSA-N
XLogP2.23
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole?
The IUPAC name of 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole (CID 156769791) is 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole?
The canonical SMILES for 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole is CCCS(=O)(=O)n1nc(C)c(S(=O)(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole?
The InChIKey is URJYXQAITABIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S2/c1-5-10-22(18,19)17-13(4)15(12(3)16-17)23(20,21)14-8-6-11(2)7-9-14/h6-9H,5,10H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole?
3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole has a molecular weight of 356.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-methylphenyl)sulfonyl-1-propylsulfonylpyrazole is sourced from PubChem (CID 156769791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).