N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C13H13F3N4O2 — CID 146323226

IUPACN-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cn(C)nc2C(F)(F)F)ccc1=O
InChIInChI=1S/C13H13F3N4O2/c1-3-20-6-8(4-5-10(20)21)17-12(22)9-7-19(2)18-11(9)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,22)
InChIKeyNMPGMAHOSTUPOG-UHFFFAOYSA-N
MW314.27 g/mol
LogP1.87
Rot. Bonds3

About N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146323226) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146323226
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCn1cc(NC(=O)c2cn(C)nc2C(F)(F)F)ccc1=O
InChIInChI=1S/C13H13F3N4O2/c1-3-20-6-8(4-5-10(20)21)17-12(22)9-7-19(2)18-11(9)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,22)
InChIKeyNMPGMAHOSTUPOG-UHFFFAOYSA-N
XLogP1.87
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 146323226) is N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CCn1cc(NC(=O)c2cn(C)nc2C(F)(F)F)ccc1=O.
What is the InChIKey of N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is NMPGMAHOSTUPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-3-20-6-8(4-5-10(20)21)17-12(22)9-7-19(2)18-11(9)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,22).
What are the key properties of N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 314.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-6-oxo-3-pyridinyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146323226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).