N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

C19H23FN4O2 — CID 95726169

About N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide

N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (PubChem CID 95726169) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
• PubChem CID: 95726169
• Molecular Formula: C19H23FN4O2
• Molecular Weight: 358.42 g/mol
• Exact Mass: 358.18
• IUPAC Name: N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
• SMILES: Cc1nn(CC(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)c(C)c1C
• InChI: InChI=1S/C19H23FN4O2/c1-12-13(2)22-24(14(12)3)11-18(25)21-17-8-19(26)23(10-17)9-15-5-4-6-16(20)7-15/h4-7,17H,8-11H2,1-3H3,(H,21,25)/t17-/m0/s1
• InChIKey: XXBDBJNORSSMMM-KRWDZBQOSA-N
• XLogP: 1.86
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.42
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?

The IUPAC name of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide (CID 95726169) is N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide.

What is the SMILES notation for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?

The canonical SMILES for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is Cc1nn(CC(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)c(C)c1C.

What is the InChIKey of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?

The InChIKey is XXBDBJNORSSMMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12-13(2)22-24(14(12)3)11-18(25)21-17-8-19(26)23(10-17)9-15-5-4-6-16(20)7-15/h4-7,17H,8-11H2,1-3H3,(H,21,25)/t17-/m0/s1.

What are the key properties of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide?

N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide has a molecular weight of 358.42 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 95726169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).