(7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide

C27H23Cl2N3O — CID 6260537

About (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide

(7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide (PubChem CID 6260537) has the molecular formula C27H23Cl2N3O and a molecular weight of 476.41 g/mol. Its IUPAC name is (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide.

Molecular Properties

• Compound Name: (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide
• PubChem CID: 6260537
• Molecular Formula: C27H23Cl2N3O
• Molecular Weight: 476.41 g/mol
• Exact Mass: 475.12
• IUPAC Name: (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide
• SMILES: O=C(Nc1ccc(Cl)c(Cl)c1)N1N=C2/C(=C\c3ccccc3)CCCC2C1c1ccccc1
• InChI: InChI=1S/C27H23Cl2N3O/c28-23-15-14-21(17-24(23)29)30-27(33)32-26(19-10-5-2-6-11-19)22-13-7-12-20(25(22)31-32)16-18-8-3-1-4-9-18/h1-6,8-11,14-17,22,26H,7,12-13H2,(H,30,33)/b20-16-
• InChIKey: FVGODPJEYOSJFA-SILNSSARSA-N
• XLogP: 7.82
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.41
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide?

The IUPAC name of (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide (CID 6260537) is (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide.

What is the SMILES notation for (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide?

The canonical SMILES for (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1N=C2/C(=C\c3ccccc3)CCCC2C1c1ccccc1.

What is the InChIKey of (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide?

The InChIKey is FVGODPJEYOSJFA-SILNSSARSA-N. The full InChI is InChI=1S/C27H23Cl2N3O/c28-23-15-14-21(17-24(23)29)30-27(33)32-26(19-10-5-2-6-11-19)22-13-7-12-20(25(22)31-32)16-18-8-3-1-4-9-18/h1-6,8-11,14-17,22,26H,7,12-13H2,(H,30,33)/b20-16-.

What are the key properties of (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide?

(7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide has a molecular weight of 476.41 g/mol, XLogP of 7.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z)-7-benzylidene-N-(3,4-dichlorophenyl)-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboxamide is sourced from PubChem (CID 6260537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).