3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine

C15H15N3O2S2 — CID 58357786

IUPAC3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)Sc1nn2cccnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15N3O2S2/c1-11(2)21-15-13(14-16-9-6-10-18(14)17-15)22(19,20)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyOICQBUQHOYBGIZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.06
Rot. Bonds4

About 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine

3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine (PubChem CID 58357786) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine
PubChem CID58357786
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)Sc1nn2cccnc2c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15N3O2S2/c1-11(2)21-15-13(14-16-9-6-10-18(14)17-15)22(19,20)12-7-4-3-5-8-12/h3-11H,1-2H3
InChIKeyOICQBUQHOYBGIZ-UHFFFAOYSA-N
XLogP3.06
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.06
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-(3-methylphenyl)sulfonyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 58357705
3-(benzenesulfonyl)-5-chloro-2,6-bis(methylsulfanyl)pyrazolo[1,5-a]pyrimidine
CID 140999306
N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86839885
2-methyl-N-(1-phenylbutyl)pyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 146149170
3-(benzenesulfonyl)-7-chloro-2-methylsulfanyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 21255003
3-(benzenesulfonyl)-N,7-dimethylpyrazolo[1,5-a]pyrimidin-2-amine
CID 53326176
N-(2,6-difluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 166393056
3-(benzenesulfonyl)-7-methoxy-N-methylpyrazolo[1,5-a]pyrimidin-2-amine
CID 130451708
[3-(benzenesulfonyl)-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]methanol
CID 53316984
3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 58357701
(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)-triphenylphosphanium perchlorate
CID 44654771

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine (CID 58357786) is 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine is CC(C)Sc1nn2cccnc2c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine?
The InChIKey is OICQBUQHOYBGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-11(2)21-15-13(14-16-9-6-10-18(14)17-15)22(19,20)12-7-4-3-5-8-12/h3-11H,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine?
3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine has a molecular weight of 333.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-propan-2-ylsulfanylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58357786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).