3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C79H79ClF3N15O12S8 — CID 158957956

IUPAC3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCOc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(C)c1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.COc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H19N3O2S2.C16H16FN3O3S.C16H16FN3O2S2.C15H14ClN3O2S2.C15H14FN3O3S/c1-5-23-17-15(16-18-12(3)10-13(4)20(16)19-17)24(21,22)14-8-6-7-11(2)9-14;1-4-23-16-14(15-18-10(2)9-11(3)20(15)19-16)24(21,22)13-7-5-12(17)6-8-13;1-4-23-16-14(15-18-10(2)8-11(3)20(15)19-16)24(21,22)13-7-5-6-12(17)9-13;2*1-9-7-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-5-11(16)8-12/h6-10H,5H2,1-4H3;2*5-9H,4H2,1-3H3;2*4-8H,1-3H3
InChIKeyJMGDYAAXMWVXOX-UHFFFAOYSA-N
MW1779.58 g/mol
LogP15.63
Rot. Bonds18

About 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine

3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 158957956) has the molecular formula C79H79ClF3N15O12S8 and a molecular weight of 1779.58 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID158957956
Molecular FormulaC79H79ClF3N15O12S8
Molecular Weight1779.58 g/mol
Exact Mass1777.34
IUPAC Name3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCOc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(C)c1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.COc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H19N3O2S2.C16H16FN3O3S.C16H16FN3O2S2.C15H14ClN3O2S2.C15H14FN3O3S/c1-5-23-17-15(16-18-12(3)10-13(4)20(16)19-17)24(21,22)14-8-6-7-11(2)9-14;1-4-23-16-14(15-18-10(2)9-11(3)20(15)19-16)24(21,22)13-7-5-12(17)6-8-13;1-4-23-16-14(15-18-10(2)8-11(3)20(15)19-16)24(21,22)13-7-5-6-12(17)9-13;2*1-9-7-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-5-11(16)8-12/h6-10H,5H2,1-4H3;2*5-9H,4H2,1-3H3;2*4-8H,1-3H3
InChIKeyJMGDYAAXMWVXOX-UHFFFAOYSA-N
XLogP15.63
TPSA340.11 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001779.58
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

3-(Benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxyethanol;3-(benzenesulfonyl)-2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(4-fluorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-[3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxyethanol
CID 157117407
3-(3-Chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;3-(3-chlorophenyl)sulfonyl-2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 158519703
3-(Benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxyethanol;3-(benzenesulfonyl)-2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-[3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxyethanol
CID 161655841
3-(Benzenesulfonyl)-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-[3-(benzenesulfonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxyethanol;3-(benzenesulfonyl)-2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(4-fluorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-[3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]oxyethanol
CID 162039980
3-(3-Chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;3-(3-chlorophenyl)sulfonyl-2-ethylsulfanyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;3-(4-fluorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 162135122

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 158957956) is 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine is CCOc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(C)c1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.COc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is JMGDYAAXMWVXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S2.C16H16FN3O3S.C16H16FN3O2S2.C15H14ClN3O2S2.C15H14FN3O3S/c1-5-23-17-15(16-18-12(3)10-13(4)20(16)19-17)24(21,22)14-8-6-7-11(2)9-14;1-4-23-16-14(15-18-10(2)9-11(3)20(15)19-16)24(21,22)13-7-5-12(17)6-8-13;1-4-23-16-14(15-18-10(2)8-11(3)20(15)19-16)24(21,22)13-7-5-6-12(17)9-13;2*1-9-7-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-5-11(16)8-12/h6-10H,5H2,1-4H3;2*5-9H,4H2,1-3H3;2*4-8H,1-3H3.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 1779.58 g/mol, XLogP of 15.63, 18 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-5,7-dimethyl-2-methylsulfanylpyrazolo[1,5-a]pyrimidine;2-ethoxy-3-(4-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-5,7-dimethyl-3-(3-methylphenyl)sulfonylpyrazolo[1,5-a]pyrimidine;2-ethylsulfanyl-3-(3-fluorophenyl)sulfonyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine;3-(3-fluorophenyl)sulfonyl-2-methoxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 158957956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).