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

C12H11F3N4O3 — CID 138034823

IUPAC4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCn1cc(CNC(=O)c2cc(O)cc(=O)[nH]2)c(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O3/c1-19-5-6(10(18-19)12(13,14)15)4-16-11(22)8-2-7(20)3-9(21)17-8/h2-3,5H,4H2,1H3,(H,16,22)(H2,17,20,21)
InChIKeyPXAJZXGWWJJEIT-UHFFFAOYSA-N
MW316.24 g/mol
LogP0.76
Rot. Bonds3

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

4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 138034823) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID138034823
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC Name4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCn1cc(CNC(=O)c2cc(O)cc(=O)[nH]2)c(C(F)(F)F)n1
InChIInChI=1S/C12H11F3N4O3/c1-19-5-6(10(18-19)12(13,14)15)4-16-11(22)8-2-7(20)3-9(21)17-8/h2-3,5H,4H2,1H3,(H,16,22)(H2,17,20,21)
InChIKeyPXAJZXGWWJJEIT-UHFFFAOYSA-N
XLogP0.76
TPSA100.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoylamino]butanoic acid
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1-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122007451
1,4-dimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126965310
3-[[[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]benzoic acid
CID 91644944
1-methyl-N-(naphthalen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020382
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4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 112669921
3-methoxy-1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-4-amine
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 138034823) is 4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide is Cn1cc(CNC(=O)c2cc(O)cc(=O)[nH]2)c(C(F)(F)F)n1.
What is the InChIKey of 4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is PXAJZXGWWJJEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c1-19-5-6(10(18-19)12(13,14)15)4-16-11(22)8-2-7(20)3-9(21)17-8/h2-3,5H,4H2,1H3,(H,16,22)(H2,17,20,21).
What are the key properties of 4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide?
4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 138034823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).