N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide

C11H9F3N4O2 — CID 71854780

IUPACN-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccn[nH]1
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)6-18-5-1-2-8(10(18)20)16-9(19)7-3-4-15-17-7/h1-5H,6H2,(H,15,17)(H,16,19)
InChIKeyDYFNCYZLTXZZDE-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.39
Rot. Bonds3

About N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide

N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide (PubChem CID 71854780) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide
PubChem CID71854780
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC NameN-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccn[nH]1
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)6-18-5-1-2-8(10(18)20)16-9(19)7-3-4-15-17-7/h1-5H,6H2,(H,15,17)(H,16,19)
InChIKeyDYFNCYZLTXZZDE-UHFFFAOYSA-N
XLogP1.39
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide (CID 71854780) is N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccn[nH]1.
What is the InChIKey of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DYFNCYZLTXZZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)6-18-5-1-2-8(10(18)20)16-9(19)7-3-4-15-17-7/h1-5H,6H2,(H,15,17)(H,16,19).
What are the key properties of N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide?
N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71854780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).