3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

C14H13N3O2S2 — CID 58357705

IUPAC3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2cccnc2c1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H13N3O2S2/c1-10-5-3-6-11(9-10)21(18,19)12-13-15-7-4-8-17(13)16-14(12)20-2/h3-9H,1-2H3
InChIKeyOIQUSRBDIUQBOR-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.59
Rot. Bonds3

About 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (PubChem CID 58357705) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
PubChem CID58357705
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCSc1nn2cccnc2c1S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C14H13N3O2S2/c1-10-5-3-6-11(9-10)21(18,19)12-13-15-7-4-8-17(13)16-14(12)20-2/h3-9H,1-2H3
InChIKeyOIQUSRBDIUQBOR-UHFFFAOYSA-N
XLogP2.59
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonyl)-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 53318300
3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine
CID 58357786
1,3,5-trimethyl-2-(3-methylphenyl)sulfonylbenzene
CID 5134322
3-(3-chlorophenyl)sulfonyl-2-methylsulfanyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 58357842
N-(2,6-difluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 166393056
3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 123504035
3-(benzenesulfonyl)-5-chloro-2,6-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine
CID 140999306
3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 58357655
[3-(benzenesulfonyl)-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]methanol
CID 53316984
azane;3-(benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyridine
CID 134715341
1-[3-[4-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 55966550
3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 58357701

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (CID 58357705) is 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is CSc1nn2cccnc2c1S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The InChIKey is OIQUSRBDIUQBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-10-5-3-6-11(9-10)21(18,19)12-13-15-7-4-8-17(13)16-14(12)20-2/h3-9H,1-2H3.
What are the key properties of 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine has a molecular weight of 319.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58357705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).