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

C78H76Cl2F3N15O10S10 — CID 158519703

About 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-(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 (PubChem CID 158519703) has the molecular formula C78H76Cl2F3N15O10S10 and a molecular weight of 1832.13 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158519703
• Molecular Formula: C78H76Cl2F3N15O10S10
• Molecular Weight: 1832.13 g/mol
• Exact Mass: 1829.24
• IUPAC Name: 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
• SMILES: CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1.CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1
• InChI: InChI=1S/C16H16ClN3O2S2.2C16H16FN3O2S2.C15H14ClN3O2S2.C15H14FN3O2S2/c1-4-23-16-14(15-18-10(2)8-11(3)20(15)19-16)24(21,22)13-7-5-6-12(17)9-13;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/h3*5-9H,4H2,1-3H3;2*4-8H,1-3H3
• InChIKey: HMBJUEQETGCCHI-UHFFFAOYSA-N
• XLogP: 17.40
• TPSA: 321.65 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1832.13
LogP ≤ 5	17.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1.CCSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(Cl)c1.CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.

What is the InChIKey of 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?

The InChIKey is HMBJUEQETGCCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S2.2C16H16FN3O2S2.C15H14ClN3O2S2.C15H14FN3O2S2/c1-4-23-16-14(15-18-10(2)8-11(3)20(15)19-16)24(21,22)13-7-5-6-12(17)9-13;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/h3*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;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-(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 has a molecular weight of 1832.13 g/mol, XLogP of 17.40, 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;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 is sourced from PubChem (CID 158519703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).