N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen

C24H18Cl2F3N3O2 — CID 161486575

About N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen

N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen (PubChem CID 161486575) has the molecular formula C24H18Cl2F3N3O2 and a molecular weight of 508.33 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen
• PubChem CID: 161486575
• Molecular Formula: C24H18Cl2F3N3O2
• Molecular Weight: 508.33 g/mol
• Exact Mass: 507.07
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen
• SMILES: COc1ccc(Cl)cc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.[H][H]
• InChI: InChI=1S/C24H16Cl2F3N3O2.H2/c1-34-21-11-10-16(25)12-18(21)30-23(33)15-8-6-14(7-9-15)20-13-22(24(27,28)29)31-32(20)19-5-3-2-4-17(19)26;/h2-13H,1H3,(H,30,33);1H
• InChIKey: WFAYJPWBAOQPQR-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.33
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen (CID 161486575) is N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen is COc1ccc(Cl)cc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.[H][H].

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen?

The InChIKey is WFAYJPWBAOQPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2F3N3O2.H2/c1-34-21-11-10-16(25)12-18(21)30-23(33)15-8-6-14(7-9-15)20-13-22(24(27,28)29)31-32(20)19-5-3-2-4-17(19)26;/h2-13H,1H3,(H,30,33);1H.

What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen?

N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen has a molecular weight of 508.33 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]benzamide;molecular hydrogen is sourced from PubChem (CID 161486575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).