2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C11H9F3N4O2 — CID 61216433

IUPAC2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)8-2-1-7(10(20)17-8)9(19)15-5-6-3-4-16-18-6/h1-4H,5H2,(H,15,19)(H,16,18)(H,17,20)
InChIKeyYWANQFQHLWJCBV-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.05
Rot. Bonds3

About 2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 61216433) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID61216433
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)8-2-1-7(10(20)17-8)9(19)15-5-6-3-4-16-18-6/h1-4H,5H2,(H,15,19)(H,16,18)(H,17,20)
InChIKeyYWANQFQHLWJCBV-UHFFFAOYSA-N
XLogP1.05
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.05
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-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 61216433) is 2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCc1ccn[nH]1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is YWANQFQHLWJCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)8-2-1-7(10(20)17-8)9(19)15-5-6-3-4-16-18-6/h1-4H,5H2,(H,15,19)(H,16,18)(H,17,20).
What are the key properties of 2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(1H-pyrazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 1.05, 3 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-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61216433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).