2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride

C19H24ClFN4O — CID 119680128

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride (PubChem CID 119680128) has the molecular formula C19H24ClFN4O and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
• PubChem CID: 119680128
• Molecular Formula: C19H24ClFN4O
• Molecular Weight: 378.88 g/mol
• Exact Mass: 378.16
• IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride
• SMILES: Cc1cc(NC(=O)CC2CC3CCC(C2)N3)n(-c2ccc(F)cc2)n1.Cl
• InChI: InChI=1S/C19H23FN4O.ClH/c1-12-8-18(24(23-12)17-6-2-14(20)3-7-17)22-19(25)11-13-9-15-4-5-16(10-13)21-15;/h2-3,6-8,13,15-16,21H,4-5,9-11H2,1H3,(H,22,25);1H
• InChIKey: HRSUSCJGQNJHQG-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 58.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.88
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride?

The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride (CID 119680128) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride.

What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride?

The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride is Cc1cc(NC(=O)CC2CC3CCC(C2)N3)n(-c2ccc(F)cc2)n1.Cl.

What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride?

The InChIKey is HRSUSCJGQNJHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O.ClH/c1-12-8-18(24(23-12)17-6-2-14(20)3-7-17)22-19(25)11-13-9-15-4-5-16(10-13)21-15;/h2-3,6-8,13,15-16,21H,4-5,9-11H2,1H3,(H,22,25);1H.

What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride?

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119680128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).