1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole

C15H20N2O3S — CID 2222386

IUPAC1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCCCOc1cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C
InChIInChI=1S/C15H20N2O3S/c1-5-8-20-14-9-12(3)15(10-11(14)2)21(18,19)17-7-6-13(4)16-17/h6-7,9-10H,5,8H2,1-4H3
InChIKeyZFKITOHWRNGKFE-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.83
Rot. Bonds5

About 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole

1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole (PubChem CID 2222386) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole.

Molecular Properties

Compound Name1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole
PubChem CID2222386
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole
SMILESCCCOc1cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C
InChIInChI=1S/C15H20N2O3S/c1-5-8-20-14-9-12(3)15(10-11(14)2)21(18,19)17-7-6-13(4)16-17/h6-7,9-10H,5,8H2,1-4H3
InChIKeyZFKITOHWRNGKFE-UHFFFAOYSA-N
XLogP2.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole?
The IUPAC name of 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole (CID 2222386) is 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole.
What is the SMILES notation for 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole?
The canonical SMILES for 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole is CCCOc1cc(C)c(S(=O)(=O)n2ccc(C)n2)cc1C.
What is the InChIKey of 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole?
The InChIKey is ZFKITOHWRNGKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-8-20-14-9-12(3)15(10-11(14)2)21(18,19)17-7-6-13(4)16-17/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole?
1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole has a molecular weight of 308.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-4-propoxyphenyl)sulfonyl-3-methylpyrazole is sourced from PubChem (CID 2222386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).