N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide

C23H15F6N5O — CID 89354274

About N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide

N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide (PubChem CID 89354274) has the molecular formula C23H15F6N5O and a molecular weight of 491.40 g/mol. Its IUPAC name is N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide
• PubChem CID: 89354274
• Molecular Formula: C23H15F6N5O
• Molecular Weight: 491.40 g/mol
• Exact Mass: 491.12
• IUPAC Name: N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide
• SMILES: O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(CC(F)(F)F)c1
• InChI: InChI=1S/C23H15F6N5O/c24-22(25,26)11-14-3-1-4-15(9-14)21(35)32-20-7-6-17(13-31-20)34-19(23(27,28)29)10-18(33-34)16-5-2-8-30-12-16/h1-10,12-13H,11H2,(H,31,32,35)
• InChIKey: AOVFJSLJKYZXME-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.40
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide?

The IUPAC name of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide (CID 89354274) is N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide.

What is the SMILES notation for N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide?

The canonical SMILES for N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide is O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc(CC(F)(F)F)c1.

What is the InChIKey of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide?

The InChIKey is AOVFJSLJKYZXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N5O/c24-22(25,26)11-14-3-1-4-15(9-14)21(35)32-20-7-6-17(13-31-20)34-19(23(27,28)29)10-18(33-34)16-5-2-8-30-12-16/h1-10,12-13H,11H2,(H,31,32,35).

What are the key properties of N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide?

N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 491.40 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 89354274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).