1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

C88H90Cl4F5N9O3 — CID 158623639

About 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (PubChem CID 158623639) has the molecular formula C88H90Cl4F5N9O3 and a molecular weight of 1558.55 g/mol. Its IUPAC name is 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
• PubChem CID: 158623639
• Molecular Formula: C88H90Cl4F5N9O3
• Molecular Weight: 1558.55 g/mol
• Exact Mass: 1555.58
• IUPAC Name: 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
• SMILES: CC12CCC(C1)C(C)(C)[C@H]2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1ccc(F)cc1.O=C(NC1CCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1ccc(F)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1nn(Cc2ccccc2)c2c1CCCCC2c1ccccc1
• InChI: InChI=1S/C32H36Cl2FN3O.C30H28F3N3O.C26H26Cl2FN3O/c1-31(2)21-14-15-32(3,18-21)30(31)36-29(39)27-24-7-5-4-6-20(16-19-8-11-23(35)12-9-19)28(24)38(37-27)26-13-10-22(33)17-25(26)34;31-30(32,33)24-15-9-12-22(18-24)19-34-29(37)27-26-17-8-7-16-25(23-13-5-2-6-14-23)28(26)36(35-27)20-21-10-3-1-4-11-21;27-18-10-13-23(22(28)15-18)32-25-17(14-16-8-11-19(29)12-9-16)4-1-2-7-21(25)24(31-32)26(33)30-20-5-3-6-20/h8-13,17,20-21,30H,4-7,14-16,18H2,1-3H3,(H,36,39);1-6,9-15,18,25H,7-8,16-17,19-20H2,(H,34,37);8-13,15,17,20H,1-7,14H2,(H,30,33)/t20?,21?,30-,32?;;/m1../s1
• InChIKey: HYHRXVHUERDTJK-WSIYFYGUSA-N
• XLogP: 21.71
• TPSA: 140.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1558.55
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?

The IUPAC name of 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (CID 158623639) is 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.

What is the SMILES notation for 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?

The canonical SMILES for 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is CC12CCC(C1)C(C)(C)[C@H]2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1ccc(F)cc1.O=C(NC1CCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1ccc(F)cc1.O=C(NCc1cccc(C(F)(F)F)c1)c1nn(Cc2ccccc2)c2c1CCCCC2c1ccccc1.

What is the InChIKey of 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?

The InChIKey is HYHRXVHUERDTJK-WSIYFYGUSA-N. The full InChI is InChI=1S/C32H36Cl2FN3O.C30H28F3N3O.C26H26Cl2FN3O/c1-31(2)21-14-15-32(3,18-21)30(31)36-29(39)27-24-7-5-4-6-20(16-19-8-11-23(35)12-9-19)28(24)38(37-27)26-13-10-22(33)17-25(26)34;31-30(32,33)24-15-9-12-22(18-24)19-34-29(37)27-26-17-8-7-16-25(23-13-5-2-6-14-23)28(26)36(35-27)20-21-10-3-1-4-11-21;27-18-10-13-23(22(28)15-18)32-25-17(14-16-8-11-19(29)12-9-16)4-1-2-7-21(25)24(31-32)26(33)30-20-5-3-6-20/h8-13,17,20-21,30H,4-7,14-16,18H2,1-3H3,(H,36,39);1-6,9-15,18,25H,7-8,16-17,19-20H2,(H,34,37);8-13,15,17,20H,1-7,14H2,(H,30,33)/t20?,21?,30-,32?;;/m1../s1.

What are the key properties of 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?

1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 1558.55 g/mol, XLogP of 21.71, 16 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-8-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;N-cyclobutyl-1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methyl]-N-[(2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 158623639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).