1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide

C26H29FN4O3 — CID 55902558

About 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide

1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide (PubChem CID 55902558) has the molecular formula C26H29FN4O3 and a molecular weight of 464.54 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide
• PubChem CID: 55902558
• Molecular Formula: C26H29FN4O3
• Molecular Weight: 464.54 g/mol
• Exact Mass: 464.22
• IUPAC Name: 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide
• SMILES: CCC(NC(=O)c1cnn(-c2ccccc2F)c1C)c1ccccc1OCC(=O)N1CCCC1
• InChI: InChI=1S/C26H29FN4O3/c1-3-22(19-10-4-7-13-24(19)34-17-25(32)30-14-8-9-15-30)29-26(33)20-16-28-31(18(20)2)23-12-6-5-11-21(23)27/h4-7,10-13,16,22H,3,8-9,14-15,17H2,1-2H3,(H,29,33)
• InChIKey: XIUKFCUPXVWJAQ-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.54
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide?

The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide (CID 55902558) is 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide is CCC(NC(=O)c1cnn(-c2ccccc2F)c1C)c1ccccc1OCC(=O)N1CCCC1.

What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide?

The InChIKey is XIUKFCUPXVWJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O3/c1-3-22(19-10-4-7-13-24(19)34-17-25(32)30-14-8-9-15-30)29-26(33)20-16-28-31(18(20)2)23-12-6-5-11-21(23)27/h4-7,10-13,16,22H,3,8-9,14-15,17H2,1-2H3,(H,29,33).

What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide?

1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-fluorophenyl)-5-methyl-N-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55902558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).