5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C₁₉H₂₀F₄N₆O — CID 177050471

About 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 177050471) has the molecular formula C₁₉H₂₀F₄N₆O and a molecular weight of 424.40 g/mol. Its IUPAC name is 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• PubChem CID: 177050471
• Molecular Formula: C₁₉H₂₀F₄N₆O
• Molecular Weight: 424.40 g/mol
• Exact Mass: 424.16
• IUPAC Name: 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• SMILES: CCc1[nH]nc(C(N)=O)c1F.FC(F)(F)c1cc(-c2cc3n(n2)CCCC3)ccn1
• InChI: InChI=1S/C13H12F3N3.C6H8FN3O/c14-13(15,16)12-7-9(4-5-17-12)11-8-10-3-1-2-6-19(10)18-11;1-2-3-4(7)5(6(8)11)10-9-3/h4-5,7-8H,1-3,6H2;2H2,1H3,(H2,8,11)(H,9,10)
• InChIKey: YLJCFRUEOPXYKC-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 102.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.40
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The IUPAC name of 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 177050471) is 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

What is the SMILES notation for 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The canonical SMILES for 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CCc1[nH]nc(C(N)=O)c1F.FC(F)(F)c1cc(-c2cc3n(n2)CCCC3)ccn1.

What is the InChIKey of 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The InChIKey is YLJCFRUEOPXYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3.C6H8FN3O/c14-13(15,16)12-7-9(4-5-17-12)11-8-10-3-1-2-6-19(10)18-11;1-2-3-4(7)5(6(8)11)10-9-3/h4-5,7-8H,1-3,6H2;2H2,1H3,(H2,8,11)(H,9,10).

What are the key properties of 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 424.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 177050471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177050471 — identifiers, structure, computed properties (public domain)

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