4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C28H33FN4O2 — CID 165139912

About 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 165139912) has the molecular formula C28H33FN4O2 and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
• PubChem CID: 165139912
• Molecular Formula: C28H33FN4O2
• Molecular Weight: 476.60 g/mol
• Exact Mass: 476.26
• IUPAC Name: 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
• SMILES: Cc1cnn(C(C)C(=O)N2CC(F)CC2C(=O)NC(c2ccccc2)c2ccc(C(C)C)cc2)c1
• InChI: InChI=1S/C28H33FN4O2/c1-18(2)21-10-12-23(13-11-21)26(22-8-6-5-7-9-22)31-27(34)25-14-24(29)17-32(25)28(35)20(4)33-16-19(3)15-30-33/h5-13,15-16,18,20,24-26H,14,17H2,1-4H3,(H,31,34)
• InChIKey: ILGVZKYIQBEEBS-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.60
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?

The IUPAC name of 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 165139912) is 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1cnn(C(C)C(=O)N2CC(F)CC2C(=O)NC(c2ccccc2)c2ccc(C(C)C)cc2)c1.

What is the InChIKey of 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?

The InChIKey is ILGVZKYIQBEEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN4O2/c1-18(2)21-10-12-23(13-11-21)26(22-8-6-5-7-9-22)31-27(34)25-14-24(29)17-32(25)28(35)20(4)33-16-19(3)15-30-33/h5-13,15-16,18,20,24-26H,14,17H2,1-4H3,(H,31,34).

What are the key properties of 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?

4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 476.60 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-1-[2-(4-methylpyrazol-1-yl)propanoyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165139912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).