1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone

C11H11N3O2 — CID 116792870

IUPAC1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(Oc2cnn(C)c2)c1
InChIInChI=1S/C11H11N3O2/c1-8(15)9-3-4-12-11(5-9)16-10-6-13-14(2)7-10/h3-7H,1-2H3
InChIKeyXCZHMNJQAJNRAB-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.81
Rot. Bonds3

About 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone

1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone (PubChem CID 116792870) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone
PubChem CID116792870
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone
SMILESCC(=O)c1ccnc(Oc2cnn(C)c2)c1
InChIInChI=1S/C11H11N3O2/c1-8(15)9-3-4-12-11(5-9)16-10-6-13-14(2)7-10/h3-7H,1-2H3
InChIKeyXCZHMNJQAJNRAB-UHFFFAOYSA-N
XLogP1.81
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)oxypyridine-4-carbonitrile
CID 116792720
2-(1-methylpyrazol-4-yl)oxypyridine
CID 117233488
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95329682
1-[2-chloro-4-(1-methylpyrazol-4-yl)oxyphenyl]ethanone
CID 116792877
ethyl 2-(3-acetylphenoxy)pyridine-4-carboxylate
CID 71668879
4-amino-3-(1-methylpyrazol-4-yl)oxybenzamide
CID 116792417
2-(1-methylpyrazol-4-yl)oxy-6-propylpyridine-4-carboxylic acid
CID 116792579
2-(1-ethylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 116801525
N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboximidamide
CID 136932356
1-[6-(1-propylpyrazol-4-yl)oxy-3-pyridinyl]ethanone
CID 116801606
1-[2-(5-bromo-2-methylphenoxy)-4-pyridinyl]ethanone
CID 107284744

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone (CID 116792870) is 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone is CC(=O)c1ccnc(Oc2cnn(C)c2)c1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone?
The InChIKey is XCZHMNJQAJNRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8(15)9-3-4-12-11(5-9)16-10-6-13-14(2)7-10/h3-7H,1-2H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone?
1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone has a molecular weight of 217.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]ethanone is sourced from PubChem (CID 116792870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).