8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide

C113H115BrCl6F4N12O8 — CID 160967539

About 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide

8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide (PubChem CID 160967539) has the molecular formula C113H115BrCl6F4N12O8 and a molecular weight of 2137.85 g/mol. Its IUPAC name is 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
• PubChem CID: 160967539
• Molecular Formula: C113H115BrCl6F4N12O8
• Molecular Weight: 2137.85 g/mol
• Exact Mass: 2132.62
• IUPAC Name: 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
• SMILES: CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCOc3cc(Br)ccc3-4)C1C2.CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCOc3cc(Cl)ccc3-4)C1C2.CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(F)cc4F)c4c3CCOc3cc(Cl)ccc3-4)C1C2.Cc1ccc2c(c1)OCCc1c(C(=O)NCC3CCC4CC3C4(C)C)nn(-c3ccc(F)cc3F)c1-2
• InChI: InChI=1S/C29H31F2N3O2.C28H28BrCl2N3O2.C28H28Cl3N3O2.C28H28ClF2N3O2/c1-16-4-8-20-25(12-16)36-11-10-21-26(33-34(27(20)21)24-9-7-19(30)14-23(24)31)28(35)32-15-17-5-6-18-13-22(17)29(18,2)3;1-28(2)16-4-3-15(21(28)11-16)14-32-27(35)25-20-9-10-36-24-12-17(29)5-7-19(24)26(20)34(33-25)23-8-6-18(30)13-22(23)31;1-28(2)16-4-3-15(21(28)11-16)14-32-27(35)25-20-9-10-36-24-13-18(30)5-7-19(24)26(20)34(33-25)23-8-6-17(29)12-22(23)31;1-28(2)16-4-3-15(21(28)11-16)14-32-27(35)25-20-9-10-36-24-12-17(29)5-7-19(24)26(20)34(33-25)23-8-6-18(30)13-22(23)31/h4,7-9,12,14,17-18,22H,5-6,10-11,13,15H2,1-3H3,(H,32,35);3*5-8,12-13,15-16,21H,3-4,9-11,14H2,1-2H3,(H,32,35)
• InChIKey: SXVBUCKQLMULRT-UHFFFAOYSA-N
• XLogP: 26.65
• TPSA: 224.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2137.85
LogP ≤ 5	26.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide?

The IUPAC name of 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide (CID 160967539) is 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide.

What is the SMILES notation for 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide?

The canonical SMILES for 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide is CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCOc3cc(Br)ccc3-4)C1C2.CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(Cl)cc4Cl)c4c3CCOc3cc(Cl)ccc3-4)C1C2.CC1(C)C2CCC(CNC(=O)c3nn(-c4ccc(F)cc4F)c4c3CCOc3cc(Cl)ccc3-4)C1C2.Cc1ccc2c(c1)OCCc1c(C(=O)NCC3CCC4CC3C4(C)C)nn(-c3ccc(F)cc3F)c1-2.

What is the InChIKey of 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide?

The InChIKey is SXVBUCKQLMULRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F2N3O2.C28H28BrCl2N3O2.C28H28Cl3N3O2.C28H28ClF2N3O2/c1-16-4-8-20-25(12-16)36-11-10-21-26(33-34(27(20)21)24-9-7-19(30)14-23(24)31)28(35)32-15-17-5-6-18-13-22(17)29(18,2)3;1-28(2)16-4-3-15(21(28)11-16)14-32-27(35)25-20-9-10-36-24-12-17(29)5-7-19(24)26(20)34(33-25)23-8-6-18(30)13-22(23)31;1-28(2)16-4-3-15(21(28)11-16)14-32-27(35)25-20-9-10-36-24-13-18(30)5-7-19(24)26(20)34(33-25)23-8-6-17(29)12-22(23)31;1-28(2)16-4-3-15(21(28)11-16)14-32-27(35)25-20-9-10-36-24-12-17(29)5-7-19(24)26(20)34(33-25)23-8-6-18(30)13-22(23)31/h4,7-9,12,14,17-18,22H,5-6,10-11,13,15H2,1-3H3,(H,32,35);3*5-8,12-13,15-16,21H,3-4,9-11,14H2,1-2H3,(H,32,35).

What are the key properties of 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide?

8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide has a molecular weight of 2137.85 g/mol, XLogP of 26.65, 16 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-dichlorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;8-chloro-1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide;1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-8-methyl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide is sourced from PubChem (CID 160967539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).