2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone

C22H24FN5O — CID 67092224

About 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone

2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone (PubChem CID 67092224) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone
• PubChem CID: 67092224
• Molecular Formula: C22H24FN5O
• Molecular Weight: 393.47 g/mol
• Exact Mass: 393.20
• IUPAC Name: 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone
• SMILES: CNC1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)C1
• InChI: InChI=1S/C22H24FN5O/c1-24-19-8-11-27(14-19)22(29)15-28-20(12-16-2-4-18(23)5-3-16)13-21(26-28)17-6-9-25-10-7-17/h2-7,9-10,13,19,24H,8,11-12,14-15H2,1H3
• InChIKey: NBQPMTJJRQATOG-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.47
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone?

The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone (CID 67092224) is 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone.

What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone?

The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone is CNC1CCN(C(=O)Cn2nc(-c3ccncc3)cc2Cc2ccc(F)cc2)C1.

What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone?

The InChIKey is NBQPMTJJRQATOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-24-19-8-11-27(14-19)22(29)15-28-20(12-16-2-4-18(23)5-3-16)13-21(26-28)17-6-9-25-10-7-17/h2-7,9-10,13,19,24H,8,11-12,14-15H2,1H3.

What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone?

2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 393.47 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]-1-[3-(methylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 67092224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).