N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C13H13F3N4O2 — CID 154785076

IUPACN-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCn1ncc(NC(=O)c2c[nH]c(C)cc2=O)c1C(F)(F)F
InChIInChI=1S/C13H13F3N4O2/c1-3-20-11(13(14,15)16)9(6-18-20)19-12(22)8-5-17-7(2)4-10(8)21/h4-6H,3H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyOTPZDQHHXLPPFA-UHFFFAOYSA-N
MW314.27 g/mol
LogP2.17
Rot. Bonds3

About N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 154785076) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID154785076
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCn1ncc(NC(=O)c2c[nH]c(C)cc2=O)c1C(F)(F)F
InChIInChI=1S/C13H13F3N4O2/c1-3-20-11(13(14,15)16)9(6-18-20)19-12(22)8-5-17-7(2)4-10(8)21/h4-6H,3H2,1-2H3,(H,17,21)(H,19,22)
InChIKeyOTPZDQHHXLPPFA-UHFFFAOYSA-N
XLogP2.17
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 154785076) is N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCn1ncc(NC(=O)c2c[nH]c(C)cc2=O)c1C(F)(F)F.
What is the InChIKey of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OTPZDQHHXLPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-3-20-11(13(14,15)16)9(6-18-20)19-12(22)8-5-17-7(2)4-10(8)21/h4-6H,3H2,1-2H3,(H,17,21)(H,19,22).
What are the key properties of N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 154785076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).