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

IUPAC5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCCc1[nH]nc(C(N)=O)c1F.FC(F)(F)c1cc(-c2cc3n(n2)CCCC3)ccn1
InChIInChI=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)
InChIKeyYLJCFRUEOPXYKC-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.51
Rot. Bonds3

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 Name5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID177050471
Molecular FormulaC19H20F4N6O
Molecular Weight424.40 g/mol
Exact Mass424.16
IUPAC Name5-ethyl-4-fluoro-1H-pyrazole-3-carboxamide;2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCCc1[nH]nc(C(N)=O)c1F.FC(F)(F)c1cc(-c2cc3n(n2)CCCC3)ccn1
InChIInChI=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)
InChIKeyYLJCFRUEOPXYKC-UHFFFAOYSA-N
XLogP3.51
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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).