5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide

C22H23F3N6O — CID 55721497

About 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide

5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 55721497) has the molecular formula C22H23F3N6O and a molecular weight of 444.46 g/mol. Its IUPAC name is 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
• PubChem CID: 55721497
• Molecular Formula: C22H23F3N6O
• Molecular Weight: 444.46 g/mol
• Exact Mass: 444.19
• IUPAC Name: 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide
• SMILES: CCc1c(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cnn1-c1ccccn1
• InChI: InChI=1S/C22H23F3N6O/c1-2-18-17(14-28-31(18)20-5-3-4-10-26-20)21(32)29-16-8-11-30(12-9-16)19-7-6-15(13-27-19)22(23,24)25/h3-7,10,13-14,16H,2,8-9,11-12H2,1H3,(H,29,32)
• InChIKey: DCYFXPPFRIDDOQ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.46
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide?

The IUPAC name of 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 55721497) is 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide?

The canonical SMILES for 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide is CCc1c(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cnn1-c1ccccn1.

What is the InChIKey of 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide?

The InChIKey is DCYFXPPFRIDDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O/c1-2-18-17(14-28-31(18)20-5-3-4-10-26-20)21(32)29-16-8-11-30(12-9-16)19-7-6-15(13-27-19)22(23,24)25/h3-7,10,13-14,16H,2,8-9,11-12H2,1H3,(H,29,32).

What are the key properties of 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide?

5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-1-pyridin-2-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 55721497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).