2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide

C11H9F3N4O2 — CID 81342125

IUPAC2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(Oc2nc(C(F)(F)F)ccc2C(N)=O)n[nH]1
InChIInChI=1S/C11H9F3N4O2/c1-5-4-8(18-17-5)20-10-6(9(15)19)2-3-7(16-10)11(12,13)14/h2-4H,1H3,(H2,15,19)(H,17,18)
InChIKeyQSRFURYFYQXBSZ-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.02
Rot. Bonds3

About 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 81342125) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID81342125
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(Oc2nc(C(F)(F)F)ccc2C(N)=O)n[nH]1
InChIInChI=1S/C11H9F3N4O2/c1-5-4-8(18-17-5)20-10-6(9(15)19)2-3-7(16-10)11(12,13)14/h2-4H,1H3,(H2,15,19)(H,17,18)
InChIKeyQSRFURYFYQXBSZ-UHFFFAOYSA-N
XLogP2.02
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 81342125) is 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(Oc2nc(C(F)(F)F)ccc2C(N)=O)n[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QSRFURYFYQXBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c1-5-4-8(18-17-5)20-10-6(9(15)19)2-3-7(16-10)11(12,13)14/h2-4H,1H3,(H2,15,19)(H,17,18).
What are the key properties of 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 286.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-3-yl)oxy]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81342125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).