1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C20H17FIN3O — CID 55688233

About 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55688233) has the molecular formula C20H17FIN3O and a molecular weight of 461.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• PubChem CID: 55688233
• Molecular Formula: C20H17FIN3O
• Molecular Weight: 461.28 g/mol
• Exact Mass: 461.04
• IUPAC Name: 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• SMILES: Cc1cc(I)ccc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2
• InChI: InChI=1S/C20H17FIN3O/c1-12-11-13(22)9-10-16(12)23-20(26)19-14-5-4-8-17(14)25(24-19)18-7-3-2-6-15(18)21/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,23,26)
• InChIKey: QXWBHRSXTNEJBV-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.28
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The IUPAC name of 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55688233) is 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

What is the SMILES notation for 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The canonical SMILES for 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1cc(I)ccc1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2.

What is the InChIKey of 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

The InChIKey is QXWBHRSXTNEJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FIN3O/c1-12-11-13(22)9-10-16(12)23-20(26)19-14-5-4-8-17(14)25(24-19)18-7-3-2-6-15(18)21/h2-3,6-7,9-11H,4-5,8H2,1H3,(H,23,26).

What are the key properties of 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?

1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 461.28 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-N-(4-iodo-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55688233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).