3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

C93H98F4N24O12S6 — CID 159037461

About 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine

3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 159037461) has the molecular formula C93H98F4N24O12S6 and a molecular weight of 2012.36 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
• PubChem CID: 159037461
• Molecular Formula: C93H98F4N24O12S6
• Molecular Weight: 2012.36 g/mol
• Exact Mass: 2010.61
• IUPAC Name: 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine
• SMILES: CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1.CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1.Cc1cc(C)n2nc(N(C)C)c(S(=O)(=O)c3ccc(F)cc3)c2n1.Cc1cc(C)n2nc(N(C)C)c(S(=O)(=O)c3cccc(F)c3)c2n1.Cc1cc(C)n2nc(N(C)C)c(S(=O)(=O)c3ccccc3)c2n1
• InChI: InChI=1S/2C16H17FN4O2S.C16H18N4O2S.2C15H15FN4O2S.C15H16N4O2S/c1-10-9-11(2)21-15(18-10)14(16(19-21)20(3)4)24(22,23)13-7-5-12(17)6-8-13;1-10-8-11(2)21-15(18-10)14(16(19-21)20(3)4)24(22,23)13-7-5-6-12(17)9-13;1-11-10-12(2)20-15(17-11)14(16(18-20)19(3)4)23(21,22)13-8-6-5-7-9-13;1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-11(16)5-7-12;1-9-7-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-5-11(16)8-12;1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h2*5-9H,1-4H3;5-10H,1-4H3;2*4-8H,1-3H3,(H,17,19);4-9H,1-3H3,(H,16,18)
• InChIKey: JVQAQZREEVFGMP-UHFFFAOYSA-N
• XLogP: 13.95
• TPSA: 431.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2012.36
LogP ≤ 5	13.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?

The IUPAC name of 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine (CID 159037461) is 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine.

What is the SMILES notation for 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?

The canonical SMILES for 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1.CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1.CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccccc1.Cc1cc(C)n2nc(N(C)C)c(S(=O)(=O)c3ccc(F)cc3)c2n1.Cc1cc(C)n2nc(N(C)C)c(S(=O)(=O)c3cccc(F)c3)c2n1.Cc1cc(C)n2nc(N(C)C)c(S(=O)(=O)c3ccccc3)c2n1.

What is the InChIKey of 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?

The InChIKey is JVQAQZREEVFGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17FN4O2S.C16H18N4O2S.2C15H15FN4O2S.C15H16N4O2S/c1-10-9-11(2)21-15(18-10)14(16(19-21)20(3)4)24(22,23)13-7-5-12(17)6-8-13;1-10-8-11(2)21-15(18-10)14(16(19-21)20(3)4)24(22,23)13-7-5-6-12(17)9-13;1-11-10-12(2)20-15(17-11)14(16(18-20)19(3)4)23(21,22)13-8-6-5-7-9-13;1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-11(16)5-7-12;1-9-7-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-5-11(16)8-12;1-10-9-11(2)19-15(17-10)13(14(16-3)18-19)22(20,21)12-7-5-4-6-8-12/h2*5-9H,1-4H3;5-10H,1-4H3;2*4-8H,1-3H3,(H,17,19);4-9H,1-3H3,(H,16,18).

What are the key properties of 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine?

3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 2012.36 g/mol, XLogP of 13.95, 18 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonyl)-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(benzenesulfonyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,N,5,7-tetramethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(3-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine;3-(4-fluorophenyl)sulfonyl-N,5,7-trimethylpyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 159037461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).