N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide

C21H24FN5O — CID 24889658

About N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide

N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide (PubChem CID 24889658) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide
• PubChem CID: 24889658
• Molecular Formula: C21H24FN5O
• Molecular Weight: 381.46 g/mol
• Exact Mass: 381.20
• IUPAC Name: N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide
• SMILES: CC(C)(N)CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1
• InChI: InChI=1S/C21H24FN5O/c1-21(2,23)14-25-20(28)13-27-18(11-15-3-5-17(22)6-4-15)12-19(26-27)16-7-9-24-10-8-16/h3-10,12H,11,13-14,23H2,1-2H3,(H,25,28)
• InChIKey: AKEFBGWOOGQGJN-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 85.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.46
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide?

The IUPAC name of N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide (CID 24889658) is N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide.

What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide?

The canonical SMILES for N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide is CC(C)(N)CNC(=O)Cn1nc(-c2ccncc2)cc1Cc1ccc(F)cc1.

What is the InChIKey of N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide?

The InChIKey is AKEFBGWOOGQGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-21(2,23)14-25-20(28)13-27-18(11-15-3-5-17(22)6-4-15)12-19(26-27)16-7-9-24-10-8-16/h3-10,12H,11,13-14,23H2,1-2H3,(H,25,28).

What are the key properties of N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide?

N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide has a molecular weight of 381.46 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-2-methylpropyl)-2-[5-[(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 24889658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).