3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C23H33FN6O — CID 74812362

About 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 74812362) has the molecular formula C23H33FN6O and a molecular weight of 428.56 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
• PubChem CID: 74812362
• Molecular Formula: C23H33FN6O
• Molecular Weight: 428.56 g/mol
• Exact Mass: 428.27
• IUPAC Name: 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
• SMILES: CC(C)CC1CC(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)NN1
• InChI: InChI=1S/C23H33FN6O/c1-16(2)12-19-14-20(28-27-19)15-29-10-7-21(8-11-29)30-22(6-9-25-30)26-23(31)17-4-3-5-18(24)13-17/h3-6,9,13,16,19-21,27-28H,7-8,10-12,14-15H2,1-2H3,(H,26,31)
• InChIKey: KLBBPSBRALDALE-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 74.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.56
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

The IUPAC name of 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 74812362) is 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

What is the SMILES notation for 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

The canonical SMILES for 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is CC(C)CC1CC(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)NN1.

What is the InChIKey of 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

The InChIKey is KLBBPSBRALDALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN6O/c1-16(2)12-19-14-20(28-27-19)15-29-10-7-21(8-11-29)30-22(6-9-25-30)26-23(31)17-4-3-5-18(24)13-17/h3-6,9,13,16,19-21,27-28H,7-8,10-12,14-15H2,1-2H3,(H,26,31).

What are the key properties of 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?

3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 428.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[2-[1-[[5-(2-methylpropyl)pyrazolidin-3-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 74812362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).