8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

C77H92Cl5N9O3 — CID 158465175

About 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide

8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (PubChem CID 158465175) has the molecular formula C77H92Cl5N9O3 and a molecular weight of 1368.91 g/mol. Its IUPAC name is 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
• PubChem CID: 158465175
• Molecular Formula: C77H92Cl5N9O3
• Molecular Weight: 1368.91 g/mol
• Exact Mass: 1365.58
• IUPAC Name: 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
• SMILES: O=C(NC1CC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1ccc(Cl)cc1.O=C(NC1CCC1)c1nn(C2CCCCC2)c2c1CCCCC2Cc1ccc(Cl)cc1.O=C(NC1CCC1)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1
• InChI: InChI=1S/2C26H34ClN3O.C25H24Cl3N3O/c27-20-10-6-8-18(17-20)16-19-9-4-5-15-23-24(26(31)28-21-11-7-12-21)29-30(25(19)23)22-13-2-1-3-14-22;27-20-15-13-18(14-16-20)17-19-7-4-5-12-23-24(26(31)28-21-8-6-9-21)29-30(25(19)23)22-10-2-1-3-11-22;26-17-7-5-15(6-8-17)13-16-3-1-2-4-20-23(25(32)29-19-10-11-19)30-31(24(16)20)22-12-9-18(27)14-21(22)28/h6,8,10,17,19,21-22H,1-5,7,9,11-16H2,(H,28,31);13-16,19,21-22H,1-12,17H2,(H,28,31);5-9,12,14,16,19H,1-4,10-11,13H2,(H,29,32)
• InChIKey: HFQXBPRVXYWUGB-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 140.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1368.91
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?

The IUPAC name of 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide (CID 158465175) is 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide.

What is the SMILES notation for 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?

The canonical SMILES for 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is O=C(NC1CC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCCCC2Cc1ccc(Cl)cc1.O=C(NC1CCC1)c1nn(C2CCCCC2)c2c1CCCCC2Cc1ccc(Cl)cc1.O=C(NC1CCC1)c1nn(C2CCCCC2)c2c1CCCCC2Cc1cccc(Cl)c1.

What is the InChIKey of 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?

The InChIKey is HFQXBPRVXYWUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H34ClN3O.C25H24Cl3N3O/c27-20-10-6-8-18(17-20)16-19-9-4-5-15-23-24(26(31)28-21-11-7-12-21)29-30(25(19)23)22-13-2-1-3-14-22;27-20-15-13-18(14-16-20)17-19-7-4-5-12-23-24(26(31)28-21-8-6-9-21)29-30(25(19)23)22-10-2-1-3-11-22;26-17-7-5-15(6-8-17)13-16-3-1-2-4-20-23(25(32)29-19-10-11-19)30-31(24(16)20)22-12-9-18(27)14-21(22)28/h6,8,10,17,19,21-22H,1-5,7,9,11-16H2,(H,28,31);13-16,19,21-22H,1-12,17H2,(H,28,31);5-9,12,14,16,19H,1-4,10-11,13H2,(H,29,32).

What are the key properties of 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide?

8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide has a molecular weight of 1368.91 g/mol, XLogP of 19.53, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclobutyl-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-(2,4-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 158465175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).