4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide

C23H20Cl2FN5O — CID 19285724

About 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19285724) has the molecular formula C23H20Cl2FN5O and a molecular weight of 472.35 g/mol. Its IUPAC name is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide
• PubChem CID: 19285724
• Molecular Formula: C23H20Cl2FN5O
• Molecular Weight: 472.35 g/mol
• Exact Mass: 471.10
• IUPAC Name: 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide
• SMILES: Cc1nn(Cc2ccc(C(=O)Nc3ccn(Cc4c(F)cccc4Cl)n3)cc2)c(C)c1Cl
• InChI: InChI=1S/C23H20Cl2FN5O/c1-14-22(25)15(2)31(28-14)12-16-6-8-17(9-7-16)23(32)27-21-10-11-30(29-21)13-18-19(24)4-3-5-20(18)26/h3-11H,12-13H2,1-2H3,(H,27,29,32)
• InChIKey: HDIOKLKWOXBHNR-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.35
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide?

The IUPAC name of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19285724) is 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

What is the SMILES notation for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide?

The canonical SMILES for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide is Cc1nn(Cc2ccc(C(=O)Nc3ccn(Cc4c(F)cccc4Cl)n3)cc2)c(C)c1Cl.

What is the InChIKey of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide?

The InChIKey is HDIOKLKWOXBHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FN5O/c1-14-22(25)15(2)31(28-14)12-16-6-8-17(9-7-16)23(32)27-21-10-11-30(29-21)13-18-19(24)4-3-5-20(18)26/h3-11H,12-13H2,1-2H3,(H,27,29,32).

What are the key properties of 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide?

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 472.35 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19285724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).