3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

C15H14FN3O3S2 — CID 58357655

IUPAC3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2c(S(=O)(=O)c3cccc(F)c3)c(SC)nn12
InChIInChI=1S/C15H14FN3O3S2/c1-9-7-12(22-2)19-14(17-9)13(15(18-19)23-3)24(20,21)11-6-4-5-10(16)8-11/h4-8H,1-3H3
InChIKeyZNMZROYSATWMGI-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.74
Rot. Bonds4

About 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine

3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (PubChem CID 58357655) has the molecular formula C15H14FN3O3S2 and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
PubChem CID58357655
Molecular FormulaC15H14FN3O3S2
Molecular Weight367.43 g/mol
Exact Mass367.05
IUPAC Name3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)nc2c(S(=O)(=O)c3cccc(F)c3)c(SC)nn12
InChIInChI=1S/C15H14FN3O3S2/c1-9-7-12(22-2)19-14(17-9)13(15(18-19)23-3)24(20,21)11-6-4-5-10(16)8-11/h4-8H,1-3H3
InChIKeyZNMZROYSATWMGI-UHFFFAOYSA-N
XLogP2.74
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-fluorophenyl)sulfonyl-7-methyl-2-methylsulfanyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 123504035
5-methyl-2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrazolo[1,5-a]pyrimidin-7-amine
CID 21255042
[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
4-(5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-3-yl)sulfonylphenol
CID 53325519
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 91409298
2-[3-(benzenesulfonyl)-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N-dimethylethanamine
CID 46189930
3-(4-bromophenyl)sulfonyl-7-chloro-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 21255019
methyl 3-(benzenesulfonyl)-7-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 58357646
[3-(3-fluorophenyl)sulfonyl-5-methyl-2-(methylamino)pyrazolo[1,5-a]pyrimidin-7-yl]methanol
CID 58357673
3-(3-fluorophenyl)sulfonyl-N,5-dimethyl-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-amine
CID 58357643
3-(3-chlorophenyl)sulfonyl-6-(2-ethylbutyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 91269355

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine (CID 58357655) is 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is COc1cc(C)nc2c(S(=O)(=O)c3cccc(F)c3)c(SC)nn12.
What is the InChIKey of 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZNMZROYSATWMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S2/c1-9-7-12(22-2)19-14(17-9)13(15(18-19)23-3)24(20,21)11-6-4-5-10(16)8-11/h4-8H,1-3H3.
What are the key properties of 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine?
3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine has a molecular weight of 367.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonyl-7-methoxy-5-methyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 58357655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).