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

C25H21ClF3N3O3 — CID 159249873

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

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-dimethoxyphenyl)benzamide;molecular hydrogen (PubChem CID 159249873) has the molecular formula C25H21ClF3N3O3 and a molecular weight of 503.91 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-dimethoxyphenyl)benzamide;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-dimethoxyphenyl)benzamide;molecular hydrogen
• PubChem CID: 159249873
• Molecular Formula: C25H21ClF3N3O3
• Molecular Weight: 503.91 g/mol
• Exact Mass: 503.12
• IUPAC Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-dimethoxyphenyl)benzamide;molecular hydrogen
• SMILES: COc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c(OC)c1.[H][H]
• InChI: InChI=1S/C25H19ClF3N3O3.H2/c1-34-17-11-12-19(22(13-17)35-2)30-24(33)16-9-7-15(8-10-16)21-14-23(25(27,28)29)31-32(21)20-6-4-3-5-18(20)26;/h3-14H,1-2H3,(H,30,33);1H
• InChIKey: KVDQGEDKYCHJBK-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.91
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-dimethoxyphenyl)benzamide;molecular hydrogen (CID 159249873) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-dimethoxyphenyl)benzamide;molecular hydrogen.

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

The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-dimethoxyphenyl)benzamide;molecular hydrogen is COc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c(OC)c1.[H][H].

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

The InChIKey is KVDQGEDKYCHJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N3O3.H2/c1-34-17-11-12-19(22(13-17)35-2)30-24(33)16-9-7-15(8-10-16)21-14-23(25(27,28)29)31-32(21)20-6-4-3-5-18(20)26;/h3-14H,1-2H3,(H,30,33);1H.

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

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-dimethoxyphenyl)benzamide;molecular hydrogen has a molecular weight of 503.91 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-(2,4-dimethoxyphenyl)benzamide;molecular hydrogen is sourced from PubChem (CID 159249873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).