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

C11H9F3N4O2 — CID 60999454

IUPAC2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)8-2-1-7(10(20)18-8)9(19)15-3-6-4-16-17-5-6/h1-2,4-5H,3H2,(H,15,19)(H,16,17)(H,18,20)
InChIKeyBSVGRUVYSCRFFF-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.05
Rot. Bonds3

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

2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 60999454) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID60999454
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCc1cn[nH]c1)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)8-2-1-7(10(20)18-8)9(19)15-3-6-4-16-17-5-6/h1-2,4-5H,3H2,(H,15,19)(H,16,17)(H,18,20)
InChIKeyBSVGRUVYSCRFFF-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

Analyze 2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;ethane
CID 155571822
N-(2-hydroxy-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 65110907
N-(2-amino-2-methylpropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide;hydrochloride
CID 119627243
4-fluoro-2-hydroxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 103829705
2-oxo-N-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 81341001
2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736201
N-(3-amino-2-hydroxy-3-oxopropyl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106164652
2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 61375925
2-bromo-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 113257865
3-chloro-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 81047299
2-fluoro-5-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62511186
2-amino-5-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 54904588

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 60999454) is 2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCc1cn[nH]c1)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is BSVGRUVYSCRFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)8-2-1-7(10(20)18-8)9(19)15-3-6-4-16-17-5-6/h1-2,4-5H,3H2,(H,15,19)(H,16,17)(H,18,20).
What are the key properties of 2-oxo-N-(1H-pyrazol-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(1H-pyrazol-4-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-4-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60999454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).