2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C10H7F3N4O2 — CID 43540447

IUPAC2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)7-2-1-6(9(19)17-7)8(18)16-5-3-14-15-4-5/h1-4H,(H,14,15)(H,16,18)(H,17,19)
InChIKeyCKXYABCXIZMMSP-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.37
Rot. Bonds2

About 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 43540447) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID43540447
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Name2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H7F3N4O2/c11-10(12,13)7-2-1-6(9(19)17-7)8(18)16-5-3-14-15-4-5/h1-4H,(H,14,15)(H,16,18)(H,17,19)
InChIKeyCKXYABCXIZMMSP-UHFFFAOYSA-N
XLogP1.37
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 43540447) is 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(Nc1cn[nH]c1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CKXYABCXIZMMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c11-10(12,13)7-2-1-6(9(19)17-7)8(18)16-5-3-14-15-4-5/h1-4H,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 272.19 g/mol, XLogP of 1.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 43540447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).