1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide

C14H15F3N4O3 — CID 75477942

IUPAC1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESCn1cc(-n2cc(C(=O)NCCOCC(F)(F)F)ccc2=O)cn1
InChIInChI=1S/C14H15F3N4O3/c1-20-8-11(6-19-20)21-7-10(2-3-12(21)22)13(23)18-4-5-24-9-14(15,16)17/h2-3,6-8H,4-5,9H2,1H3,(H,18,23)
InChIKeySCMGHTPIGMESDS-UHFFFAOYSA-N
MW344.29 g/mol
LogP0.88
Rot. Bonds6

About 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide

1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (PubChem CID 75477942) has the molecular formula C14H15F3N4O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
PubChem CID75477942
Molecular FormulaC14H15F3N4O3
Molecular Weight344.29 g/mol
Exact Mass344.11
IUPAC Name1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide
SMILESCn1cc(-n2cc(C(=O)NCCOCC(F)(F)F)ccc2=O)cn1
InChIInChI=1S/C14H15F3N4O3/c1-20-8-11(6-19-20)21-7-10(2-3-12(21)22)13(23)18-4-5-24-9-14(15,16)17/h2-3,6-8H,4-5,9H2,1H3,(H,18,23)
InChIKeySCMGHTPIGMESDS-UHFFFAOYSA-N
XLogP0.88
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide (CID 75477942) is 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is Cn1cc(-n2cc(C(=O)NCCOCC(F)(F)F)ccc2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
The InChIKey is SCMGHTPIGMESDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3/c1-20-8-11(6-19-20)21-7-10(2-3-12(21)22)13(23)18-4-5-24-9-14(15,16)17/h2-3,6-8H,4-5,9H2,1H3,(H,18,23).
What are the key properties of 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide?
1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide has a molecular weight of 344.29 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 75477942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).