1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C24H26ClF3N4O2 — CID 134056389

About 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134056389) has the molecular formula C24H26ClF3N4O2 and a molecular weight of 494.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 134056389
• Molecular Formula: C24H26ClF3N4O2
• Molecular Weight: 494.95 g/mol
• Exact Mass: 494.17
• IUPAC Name: 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: CCN(CC)C(CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)c1cccc(OC)c1
• InChI: InChI=1S/C24H26ClF3N4O2/c1-4-31(5-2)21(16-8-6-11-19(12-16)34-3)15-29-23(33)20-14-30-32(22(20)24(26,27)28)18-10-7-9-17(25)13-18/h6-14,21H,4-5,15H2,1-3H3,(H,29,33)
• InChIKey: CBOWZJFQPFXAGY-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.95
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134056389) is 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is CCN(CC)C(CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F)c1cccc(OC)c1.

What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is CBOWZJFQPFXAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClF3N4O2/c1-4-31(5-2)21(16-8-6-11-19(12-16)34-3)15-29-23(33)20-14-30-32(22(20)24(26,27)28)18-10-7-9-17(25)13-18/h6-14,21H,4-5,15H2,1-3H3,(H,29,33).

What are the key properties of 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 494.95 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chlorophenyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134056389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).