1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide

C24H26FN5O3S — CID 55882154

About 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55882154) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 55882154
• Molecular Formula: C24H26FN5O3S
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.17
• IUPAC Name: 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3C)c2)cnn1-c1ccc(F)cc1
• InChI: InChI=1S/C24H26FN5O3S/c1-16(2)23-21(15-26-30(23)19-11-9-17(25)10-12-19)24(31)27-18-6-4-7-20(14-18)34(32,33)28-22-8-5-13-29(22)3/h4,6-7,9-12,14-16H,5,8,13H2,1-3H3,(H,27,31)
• InChIKey: JUGOHCUXPWSOTN-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 96.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	4.20
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-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 55882154) is 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3C)c2)cnn1-c1ccc(F)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is JUGOHCUXPWSOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-16(2)23-21(15-26-30(23)19-11-9-17(25)10-12-19)24(31)27-18-6-4-7-20(14-18)34(32,33)28-22-8-5-13-29(22)3/h4,6-7,9-12,14-16H,5,8,13H2,1-3H3,(H,27,31).

What are the key properties of 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide?

1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55882154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).