1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone

C11H11N3O2 — CID 83118631

IUPAC1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C)[nH]n2)cn1
InChIInChI=1S/C11H11N3O2/c1-7-5-11(14-13-7)16-9-3-4-10(8(2)15)12-6-9/h3-6H,1-2H3,(H,13,14)
InChIKeyWCXIKRRAOPVNEV-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.11
Rot. Bonds3

About 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone

1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone (PubChem CID 83118631) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone
PubChem CID83118631
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(Oc2cc(C)[nH]n2)cn1
InChIInChI=1S/C11H11N3O2/c1-7-5-11(14-13-7)16-9-3-4-10(8(2)15)12-6-9/h3-6H,1-2H3,(H,13,14)
InChIKeyWCXIKRRAOPVNEV-UHFFFAOYSA-N
XLogP2.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767
1-[5-(4-ethoxyphenoxy)-2-pyridinyl]ethanone
CID 83119038
1-[5-(4-bromo-2-methylphenoxy)-2-pyridinyl]ethanone
CID 83119046
1-[5-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83120272
6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyridine-3-carboxylic acid
CID 81342027
1-[5-(2-tert-butylphenoxy)-2-pyridinyl]ethanone
CID 83118898
[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]methanamine
CID 81342015
1-[5-(4-chloro-3-ethylphenoxy)-2-pyridinyl]ethanone
CID 83119327
1-[5-(4-bromo-2-fluorophenoxy)-2-pyridinyl]ethanone
CID 83118902
4-[(6-acetyl-3-pyridinyl)oxy]-3-methoxybenzoic acid
CID 83110917

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone (CID 83118631) is 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone is CC(=O)c1ccc(Oc2cc(C)[nH]n2)cn1.
What is the InChIKey of 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone?
The InChIKey is WCXIKRRAOPVNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-5-11(14-13-7)16-9-3-4-10(8(2)15)12-6-9/h3-6H,1-2H3,(H,13,14).
What are the key properties of 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone?
1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone has a molecular weight of 217.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-pyridinyl]ethanone is sourced from PubChem (CID 83118631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).