N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H17F3N4O2 — CID 75399289

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C15H17F3N4O2/c1-3-12-10(8-22(2)21-12)7-20-13(23)11-5-4-6-19-14(11)24-9-15(16,17)18/h4-6,8H,3,7,9H2,1-2H3,(H,20,23)
InChIKeyVYOLVGGCRUXSKA-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.25
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 75399289) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID75399289
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C15H17F3N4O2/c1-3-12-10(8-22(2)21-12)7-20-13(23)11-5-4-6-19-14(11)24-9-15(16,17)18/h4-6,8H,3,7,9H2,1-2H3,(H,20,23)
InChIKeyVYOLVGGCRUXSKA-UHFFFAOYSA-N
XLogP2.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoro-3-methylbenzamide
CID 115887147
N-[(6-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87041610
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-fluoropyridine-4-carboxamide
CID 105387234
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31848498
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 115988891
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
2-propan-2-ylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55613755
2-ethoxy-N-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-3-carboxamide
CID 18126347
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628
5-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 115988870

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 75399289) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCc1nn(C)cc1CNC(=O)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is VYOLVGGCRUXSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-3-12-10(8-22(2)21-12)7-20-13(23)11-5-4-6-19-14(11)24-9-15(16,17)18/h4-6,8H,3,7,9H2,1-2H3,(H,20,23).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 75399289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).