[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C137H145F7N24O13 — CID 173205811

About [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 173205811) has the molecular formula C137H145F7N24O13 and a molecular weight of 2468.81 g/mol. Its IUPAC name is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
• PubChem CID: 173205811
• Molecular Formula: C137H145F7N24O13
• Molecular Weight: 2468.81 g/mol
• Exact Mass: 2467.13
• IUPAC Name: [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
• SMILES: COc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.COc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.COc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3ccccc3)CC2)cc1.COc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1.Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1.Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1
• InChI: InChI=1S/C24H26N4O3.C23H23F3N4O2.C23H23F3N4O.C23H26N4O3.C22H23FN4O2.C22H24N4O2/c1-17-23(18(2)28(25-17)19-6-4-3-5-7-19)24(29)27-12-10-26(11-13-27)20-8-9-21-22(16-20)31-15-14-30-21;1-16-14-21(30(27-16)18-6-8-20(32-2)9-7-18)22(31)29-12-10-28(11-13-29)19-5-3-4-17(15-19)23(24,25)26;1-16-21(17(2)30(27-16)18-8-4-3-5-9-18)22(31)29-14-12-28(13-15-29)20-11-7-6-10-19(20)23(24,25)26;1-17-16-21(27(24-17)18-8-10-19(29-2)11-9-18)23(28)26-14-12-25(13-15-26)20-6-4-5-7-22(20)30-3;1-16-15-21(27(24-16)19-7-9-20(29-2)10-8-19)22(28)26-13-11-25(12-14-26)18-5-3-17(23)4-6-18;1-17-16-21(26(23-17)19-8-10-20(28-2)11-9-19)22(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3;3-9,14-15H,10-13H2,1-2H3;3-11H,12-15H2,1-2H3;4-11,16H,12-15H2,1-3H3;3-10,15H,11-14H2,1-2H3;3-11,16H,12-15H2,1-2H3
• InChIKey: BJCAMRJXLCTJIB-UHFFFAOYSA-N
• XLogP: 21.47
• TPSA: 312.83 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2468.81
LogP ≤ 5	21.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?

The IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 173205811) is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

What is the SMILES notation for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?

The canonical SMILES for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is COc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1.COc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1.COc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3ccccc3)CC2)cc1.COc1ccc(-n2nc(C)cc2C(=O)N2CCN(c3ccccc3OC)CC2)cc1.Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(c2ccc3c(c2)OCCO3)CC1.Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCN(c2ccccc2C(F)(F)F)CC1.

What is the InChIKey of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?

The InChIKey is BJCAMRJXLCTJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3.C23H23F3N4O2.C23H23F3N4O.C23H26N4O3.C22H23FN4O2.C22H24N4O2/c1-17-23(18(2)28(25-17)19-6-4-3-5-7-19)24(29)27-12-10-26(11-13-27)20-8-9-21-22(16-20)31-15-14-30-21;1-16-14-21(30(27-16)18-6-8-20(32-2)9-7-18)22(31)29-12-10-28(11-13-29)19-5-3-4-17(15-19)23(24,25)26;1-16-21(17(2)30(27-16)18-8-4-3-5-9-18)22(31)29-14-12-28(13-15-29)20-11-7-6-10-19(20)23(24,25)26;1-17-16-21(27(24-17)18-8-10-19(29-2)11-9-18)23(28)26-14-12-25(13-15-26)20-6-4-5-7-22(20)30-3;1-16-15-21(27(24-16)19-7-9-20(29-2)10-8-19)22(28)26-13-11-25(12-14-26)18-5-3-17(23)4-6-18;1-17-16-21(26(23-17)19-8-10-20(28-2)11-9-19)22(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h3-9,16H,10-15H2,1-2H3;3-9,14-15H,10-13H2,1-2H3;3-11H,12-15H2,1-2H3;4-11,16H,12-15H2,1-3H3;3-10,15H,11-14H2,1-2H3;3-11,16H,12-15H2,1-2H3.

What are the key properties of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 2468.81 g/mol, XLogP of 21.47, 23 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone;(3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone;[4-(4-fluorophenyl)piperazin-1-yl]-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone;[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 173205811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).