4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide

C26H26ClF3N4O — CID 59632981

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 59632981) has the molecular formula C26H26ClF3N4O and a molecular weight of 502.97 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

• Compound Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide
• PubChem CID: 59632981
• Molecular Formula: C26H26ClF3N4O
• Molecular Weight: 502.97 g/mol
• Exact Mass: 502.17
• IUPAC Name: 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide
• SMILES: CN1CCC(N(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)C2CC2)CC1
• InChI: InChI=1S/C26H26ClF3N4O/c1-32-14-12-20(13-15-32)33(19-10-11-19)25(35)18-8-6-17(7-9-18)23-16-24(26(28,29)30)31-34(23)22-5-3-2-4-21(22)27/h2-9,16,19-20H,10-15H2,1H3
• InChIKey: CHWGPFIBVMYAQA-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.97
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide?

The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide (CID 59632981) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide.

What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide?

The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(N(C(=O)c2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)C2CC2)CC1.

What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide?

The InChIKey is CHWGPFIBVMYAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N4O/c1-32-14-12-20(13-15-32)33(19-10-11-19)25(35)18-8-6-17(7-9-18)23-16-24(26(28,29)30)31-34(23)22-5-3-2-4-21(22)27/h2-9,16,19-20H,10-15H2,1H3.

What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide?

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 502.97 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-cyclopropyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 59632981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).