[3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

C106H101F19N20O9 — CID 160558532

About [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

[3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 160558532) has the molecular formula C106H101F19N20O9 and a molecular weight of 2160.07 g/mol. Its IUPAC name is [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

• Compound Name: [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
• PubChem CID: 160558532
• Molecular Formula: C106H101F19N20O9
• Molecular Weight: 2160.07 g/mol
• Exact Mass: 2158.78
• IUPAC Name: [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
• SMILES: C=C1CCCN(C(=O)c2cc3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3n2)C1.COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCC(C(C)(F)F)CC4)cc3n2)cc1.COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC(C(C)(F)F)C4)cc3n2)cc1.COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC(C)(C)C4)cc3n2)cc1.O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCCC1
• InChI: InChI=1S/2C22H21F5N4O2.C22H23F3N4O2.C21H19F3N4O2.C19H17F3N4O/c1-21(23,24)14-7-9-30(10-8-14)20(32)17-12-19-28-16(13-3-5-15(33-2)6-4-13)11-18(22(25,26)27)31(19)29-17;1-21(23,24)14-4-3-9-30(12-14)20(32)17-11-19-28-16(13-5-7-15(33-2)8-6-13)10-18(22(25,26)27)31(19)29-17;1-21(2)9-4-10-28(13-21)20(30)17-12-19-26-16(14-5-7-15(31-3)8-6-14)11-18(22(23,24)25)29(19)27-17;1-13-4-3-9-27(12-13)20(29)17-11-19-25-16(14-5-7-15(30-2)8-6-14)10-18(21(22,23)24)28(19)26-17;20-19(21,22)16-11-14(13-7-3-1-4-8-13)23-17-12-15(24-26(16)17)18(27)25-9-5-2-6-10-25/h3-6,11-12,14H,7-10H2,1-2H3;5-8,10-11,14H,3-4,9,12H2,1-2H3;5-8,11-12H,4,9-10,13H2,1-3H3;5-8,10-11H,1,3-4,9,12H2,2H3;1,3-4,7-8,11-12H,2,5-6,9-10H2
• InChIKey: QYZTUDMBJQICOR-UHFFFAOYSA-N
• XLogP: 22.81
• TPSA: 289.42 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.07
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?

The IUPAC name of [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 160558532) is [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

What is the SMILES notation for [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?

The canonical SMILES for [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is C=C1CCCN(C(=O)c2cc3nc(-c4ccc(OC)cc4)cc(C(F)(F)F)n3n2)C1.COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCC(C(C)(F)F)CC4)cc3n2)cc1.COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC(C(C)(F)F)C4)cc3n2)cc1.COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCC(C)(C)C4)cc3n2)cc1.O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCCC1.

What is the InChIKey of [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?

The InChIKey is QYZTUDMBJQICOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21F5N4O2.C22H23F3N4O2.C21H19F3N4O2.C19H17F3N4O/c1-21(23,24)14-7-9-30(10-8-14)20(32)17-12-19-28-16(13-3-5-15(33-2)6-4-13)11-18(22(25,26)27)31(19)29-17;1-21(23,24)14-4-3-9-30(12-14)20(32)17-11-19-28-16(13-5-7-15(33-2)8-6-13)10-18(22(25,26)27)31(19)29-17;1-21(2)9-4-10-28(13-21)20(30)17-12-19-26-16(14-5-7-15(31-3)8-6-14)11-18(22(23,24)25)29(19)27-17;1-13-4-3-9-27(12-13)20(29)17-11-19-25-16(14-5-7-15(30-2)8-6-14)10-18(21(22,23)24)28(19)26-17;20-19(21,22)16-11-14(13-7-3-1-4-8-13)23-17-12-15(24-26(16)17)18(27)25-9-5-2-6-10-25/h3-6,11-12,14H,7-10H2,1-2H3;5-8,10-11,14H,3-4,9,12H2,1-2H3;5-8,11-12H,4,9-10,13H2,1-3H3;5-8,10-11H,1,3-4,9,12H2,2H3;1,3-4,7-8,11-12H,2,5-6,9-10H2.

What are the key properties of [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?

[3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2160.07 g/mol, XLogP of 22.81, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[4-(1,1-difluoroethyl)piperidin-1-yl]-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(3,3-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylidenepiperidin-1-yl)methanone;[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 160558532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).