1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C24H24FN5O3S — CID 76865905

About 1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 76865905) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• PubChem CID: 76865905
• Molecular Formula: C24H24FN5O3S
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.16
• IUPAC Name: 1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
• SMILES: CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1
• InChI: InChI=1S/C24H24FN5O3S/c1-29-14-6-13-22(29)28-34(32,33)17-8-4-7-16(15-17)26-24(31)23-18-9-5-12-20(18)30(27-23)21-11-3-2-10-19(21)25/h2-4,7-8,10-11,15H,5-6,9,12-14H2,1H3,(H,26,31)
• InChIKey: WATKJRGKWNEOIY-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 96.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 76865905) is 1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1.

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

The InChIKey is WATKJRGKWNEOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-29-14-6-13-22(29)28-34(32,33)17-8-4-7-16(15-17)26-24(31)23-18-9-5-12-20(18)30(27-23)21-11-3-2-10-19(21)25/h2-4,7-8,10-11,15H,5-6,9,12-14H2,1H3,(H,26,31).

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

1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 76865905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).