3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide

C24H19F4N5O2 — CID 118171836

About 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide

3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide (PubChem CID 118171836) has the molecular formula C24H19F4N5O2 and a molecular weight of 485.44 g/mol. Its IUPAC name is 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

• Compound Name: 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
• PubChem CID: 118171836
• Molecular Formula: C24H19F4N5O2
• Molecular Weight: 485.44 g/mol
• Exact Mass: 485.15
• IUPAC Name: 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
• SMILES: Cc1c(-c2c(C(N)=O)nc3ccccc3c2C(N)=O)c(C(F)(F)F)nn1CCc1ccc(F)cc1
• InChI: InChI=1S/C24H19F4N5O2/c1-12-17(19-18(22(29)34)15-4-2-3-5-16(15)31-20(19)23(30)35)21(24(26,27)28)32-33(12)11-10-13-6-8-14(25)9-7-13/h2-9H,10-11H2,1H3,(H2,29,34)(H2,30,35)
• InChIKey: UIGLRUBXUYELMV-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 116.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.44
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide?

The IUPAC name of 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide (CID 118171836) is 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide.

What is the SMILES notation for 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide?

The canonical SMILES for 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide is Cc1c(-c2c(C(N)=O)nc3ccccc3c2C(N)=O)c(C(F)(F)F)nn1CCc1ccc(F)cc1.

What is the InChIKey of 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide?

The InChIKey is UIGLRUBXUYELMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O2/c1-12-17(19-18(22(29)34)15-4-2-3-5-16(15)31-20(19)23(30)35)21(24(26,27)28)32-33(12)11-10-13-6-8-14(25)9-7-13/h2-9H,10-11H2,1H3,(H2,29,34)(H2,30,35).

What are the key properties of 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide?

3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide has a molecular weight of 485.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(4-fluorophenyl)ethyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 118171836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).