4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol

C15H15N3O3S2 — CID 53325519

IUPAC4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol
SMILESCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C15H15N3O3S2/c1-9-8-10(2)18-14(16-9)13(15(17-18)22-3)23(20,21)12-6-4-11(19)5-7-12/h4-8,19H,1-3H3
InChIKeyKVSJSNMBDMWWIA-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.61
Rot. Bonds3

About 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol

4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol (PubChem CID 53325519) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol.

Molecular Properties

Compound Name4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol
PubChem CID53325519
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol
SMILESCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C15H15N3O3S2/c1-9-8-10(2)18-14(16-9)13(15(17-18)22-3)23(20,21)12-6-4-11(19)5-7-12/h4-8,19H,1-3H3
InChIKeyKVSJSNMBDMWWIA-UHFFFAOYSA-N
XLogP2.61
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol?
The IUPAC name of 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol (CID 53325519) is 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol.
What is the SMILES notation for 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol?
The canonical SMILES for 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol is CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol?
The InChIKey is KVSJSNMBDMWWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-9-8-10(2)18-14(16-9)13(15(17-18)22-3)23(20,21)12-6-4-11(19)5-7-12/h4-8,19H,1-3H3.
What are the key properties of 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol?
4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol has a molecular weight of 349.44 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol is sourced from PubChem (CID 53325519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).