1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide

C27H20Cl2N4O — CID 46224977

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide (PubChem CID 46224977) has the molecular formula C27H20Cl2N4O and a molecular weight of 487.39 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
• PubChem CID: 46224977
• Molecular Formula: C27H20Cl2N4O
• Molecular Weight: 487.39 g/mol
• Exact Mass: 486.10
• IUPAC Name: 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
• SMILES: N#CCc1c(C(=O)NC2CCc3ccccc32)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
• InChI: InChI=1S/C27H20Cl2N4O/c28-19-12-9-18(10-13-19)26-21(15-16-30)25(32-33(26)24-8-4-3-7-22(24)29)27(34)31-23-14-11-17-5-1-2-6-20(17)23/h1-10,12-13,23H,11,14-15H2,(H,31,34)
• InChIKey: OZZVGHKEPQBHOZ-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 70.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.39
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide?

The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide (CID 46224977) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide.

What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide?

The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide is N#CCc1c(C(=O)NC2CCc3ccccc32)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.

What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide?

The InChIKey is OZZVGHKEPQBHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N4O/c28-19-12-9-18(10-13-19)26-21(15-16-30)25(32-33(26)24-8-4-3-7-22(24)29)27(34)31-23-14-11-17-5-1-2-6-20(17)23/h1-10,12-13,23H,11,14-15H2,(H,31,34).

What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide?

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide has a molecular weight of 487.39 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 46224977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).