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

C23H29FN6O — CID 42528747

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

3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 42528747) has the molecular formula C23H29FN6O and a molecular weight of 424.52 g/mol. Its IUPAC name is 3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
• PubChem CID: 42528747
• Molecular Formula: C23H29FN6O
• Molecular Weight: 424.52 g/mol
• Exact Mass: 424.24
• IUPAC Name: 3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
• SMILES: CC(C)Cc1cc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)[nH]n1
• InChI: InChI=1S/C23H29FN6O/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/h3-6,9,13-14,16,21H,7-8,10-12,15H2,1-2H3,(H,26,31)(H,27,28)
• InChIKey: YOGGARLOHVALFL-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 78.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.52
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 42528747) is 3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

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

The canonical SMILES for 3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is CC(C)Cc1cc(CN2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)[nH]n1.

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

The InChIKey is YOGGARLOHVALFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O/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/h3-6,9,13-14,16,21H,7-8,10-12,15H2,1-2H3,(H,26,31)(H,27,28).

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

3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 424.52 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 42528747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).