N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C13H13F3N4O — CID 48507833

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccc(C(F)(F)F)nc2C)n[nH]1
InChIInChI=1S/C13H13F3N4O/c1-3-8-6-11(20-19-8)18-12(21)9-4-5-10(13(14,15)16)17-7(9)2/h4-6H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyVUNRDGAGZRWMHY-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.95
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 48507833) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID48507833
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccc(C(F)(F)F)nc2C)n[nH]1
InChIInChI=1S/C13H13F3N4O/c1-3-8-6-11(20-19-8)18-12(21)9-4-5-10(13(14,15)16)17-7(9)2/h4-6H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyVUNRDGAGZRWMHY-UHFFFAOYSA-N
XLogP2.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 48507833) is N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCc1cc(NC(=O)c2ccc(C(F)(F)F)nc2C)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VUNRDGAGZRWMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-3-8-6-11(20-19-8)18-12(21)9-4-5-10(13(14,15)16)17-7(9)2/h4-6H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 298.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 48507833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).