N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

C12H11F3N4O2 — CID 138034821

IUPACN-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)nn1C
InChIInChI=1S/C12H11F3N4O2/c1-6-5-9(18-19(6)2)17-11(21)8-4-3-7(10(20)16-8)12(13,14)15/h3-5H,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyWYBHGNKIVTWPAG-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.69
Rot. Bonds2

About N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (PubChem CID 138034821) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
PubChem CID138034821
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)nn1C
InChIInChI=1S/C12H11F3N4O2/c1-6-5-9(18-19(6)2)17-11(21)8-4-3-7(10(20)16-8)12(13,14)15/h3-5H,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyWYBHGNKIVTWPAG-UHFFFAOYSA-N
XLogP1.69
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (CID 138034821) is N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The InChIKey is WYBHGNKIVTWPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-6-5-9(18-19(6)2)17-11(21)8-4-3-7(10(20)16-8)12(13,14)15/h3-5H,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 138034821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).