N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide

C134H136F21N29O9S2 — CID 162035588

About N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide

N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 162035588) has the molecular formula C134H136F21N29O9S2 and a molecular weight of 2759.85 g/mol. Its IUPAC name is N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

• Compound Name: N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide
• PubChem CID: 162035588
• Molecular Formula: C134H136F21N29O9S2
• Molecular Weight: 2759.85 g/mol
• Exact Mass: 2758.02
• IUPAC Name: N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide
• SMILES: CC(C)(O)C1CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.CC1(O)CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.FC(F)(F)c1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.N[C@H]1CCCN(c2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)C1.O=S1(=O)CCC(CNc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.O=S1(=O)CCN(c2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.OCC1CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1
• InChI: InChI=1S/C22H25F3N4O.2C20H21F3N4O.C19H19F3N4O2S.C18H18F3N5O.C18H17F3N4O.C17H15F3N4O2S/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25;1-19(28)8-5-15(6-9-19)25-17-7-10-27-18(26-17)16(12-24-27)13-3-2-4-14(11-13)20(21,22)23;21-20(22,23)15-3-1-2-14(10-15)17-11-24-27-9-8-18(26-19(17)27)25-16-6-4-13(12-28)5-7-16;20-19(21,22)15-3-1-2-14(10-15)16-12-24-26-7-4-17(25-18(16)26)23-11-13-5-8-29(27,28)9-6-13;19-18(20,21)27-14-5-1-3-12(9-14)15-10-23-26-8-6-16(24-17(15)26)25-7-2-4-13(22)11-25;19-18(20,21)13-3-1-2-12(10-13)15-11-22-25-7-4-16(24-17(15)25)23-14-5-8-26-9-6-14;18-17(19,20)13-3-1-2-12(10-13)14-11-21-24-5-4-15(22-16(14)24)23-6-8-27(25,26)9-7-23/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28);2-4,7,10-12,15,28H,5-6,8-9H2,1H3,(H,25,26);1-3,8-11,13,16,28H,4-7,12H2,(H,25,26);1-4,7,10,12-13H,5-6,8-9,11H2,(H,23,25);1,3,5-6,8-10,13H,2,4,7,11,22H2;1-4,7,10-11,14H,5-6,8-9H2,(H,23,24);1-5,10-11H,6-9H2/t;;;;13-;;/m....0../s1
• InChIKey: YWPHVLQHPKPDSE-CEENFJOGSA-N
• XLogP: 27.59
• TPSA: 451.41 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2759.85
LogP ≤ 5	27.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide?

The IUPAC name of N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide (CID 162035588) is N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide.

What is the SMILES notation for N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide?

The canonical SMILES for N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide is CC(C)(O)C1CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.CC1(O)CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.FC(F)(F)c1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.N[C@H]1CCCN(c2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)C1.O=S1(=O)CCC(CNc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.O=S1(=O)CCN(c2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.OCC1CCC(Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1.

What is the InChIKey of N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide?

The InChIKey is YWPHVLQHPKPDSE-CEENFJOGSA-N. The full InChI is InChI=1S/C22H25F3N4O.2C20H21F3N4O.C19H19F3N4O2S.C18H18F3N5O.C18H17F3N4O.C17H15F3N4O2S/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-29-20(28-19)18(13-26-29)14-4-3-5-16(12-14)22(23,24)25;1-19(28)8-5-15(6-9-19)25-17-7-10-27-18(26-17)16(12-24-27)13-3-2-4-14(11-13)20(21,22)23;21-20(22,23)15-3-1-2-14(10-15)17-11-24-27-9-8-18(26-19(17)27)25-16-6-4-13(12-28)5-7-16;20-19(21,22)15-3-1-2-14(10-15)16-12-24-26-7-4-17(25-18(16)26)23-11-13-5-8-29(27,28)9-6-13;19-18(20,21)27-14-5-1-3-12(9-14)15-10-23-26-8-6-16(24-17(15)26)25-7-2-4-13(22)11-25;19-18(20,21)13-3-1-2-12(10-13)15-11-22-25-7-4-16(24-17(15)25)23-14-5-8-26-9-6-14;18-17(19,20)13-3-1-2-12(10-13)14-11-21-24-5-4-15(22-16(14)24)23-6-8-27(25,26)9-7-23/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28);2-4,7,10-12,15,28H,5-6,8-9H2,1H3,(H,25,26);1-3,8-11,13,16,28H,4-7,12H2,(H,25,26);1-4,7,10,12-13H,5-6,8-9,11H2,(H,23,25);1,3,5-6,8-10,13H,2,4,7,11,22H2;1-4,7,10-11,14H,5-6,8-9H2,(H,23,24);1-5,10-11H,6-9H2/t;;;;13-;;/m....0../s1.

What are the key properties of N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide?

N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 2759.85 g/mol, XLogP of 27.59, 23 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 162035588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).