2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide

C26H24ClFN4O2 — CID 134608074

About 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide (PubChem CID 134608074) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide
• PubChem CID: 134608074
• Molecular Formula: C26H24ClFN4O2
• Molecular Weight: 478.96 g/mol
• Exact Mass: 478.16
• IUPAC Name: 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide
• SMILES: CC(C)(O)[C@@H](Cc1ccccn1)NC(=O)c1cccc(F)c1-c1cc(-c2ccc(Cl)cc2)n[nH]1
• InChI: InChI=1S/C26H24ClFN4O2/c1-26(2,34)23(14-18-6-3-4-13-29-18)30-25(33)19-7-5-8-20(28)24(19)22-15-21(31-32-22)16-9-11-17(27)12-10-16/h3-13,15,23,34H,14H2,1-2H3,(H,30,33)(H,31,32)/t23-/m1/s1
• InChIKey: ZATLLWPZWLBRNW-HSZRJFAPSA-N
• XLogP: 5.04
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.96
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide?

The IUPAC name of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide (CID 134608074) is 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide.

What is the SMILES notation for 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide?

The canonical SMILES for 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide is CC(C)(O)[C@@H](Cc1ccccn1)NC(=O)c1cccc(F)c1-c1cc(-c2ccc(Cl)cc2)n[nH]1.

What is the InChIKey of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide?

The InChIKey is ZATLLWPZWLBRNW-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H24ClFN4O2/c1-26(2,34)23(14-18-6-3-4-13-29-18)30-25(33)19-7-5-8-20(28)24(19)22-15-21(31-32-22)16-9-11-17(27)12-10-16/h3-13,15,23,34H,14H2,1-2H3,(H,30,33)(H,31,32)/t23-/m1/s1.

What are the key properties of 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide?

2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide has a molecular weight of 478.96 g/mol, XLogP of 5.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-3-fluoro-N-[(2R)-3-hydroxy-3-methyl-1-pyridin-2-ylbutan-2-yl]benzamide is sourced from PubChem (CID 134608074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).