1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one

C13H17N3O2 — CID 116805480

IUPAC1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one
SMILESCC(C)n1cc(OCCn2ccccc2=O)cn1
InChIInChI=1S/C13H17N3O2/c1-11(2)16-10-12(9-14-16)18-8-7-15-6-4-3-5-13(15)17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyFCVBHCOPIKRPQI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.70
Rot. Bonds5

About 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one

1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one (PubChem CID 116805480) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one
PubChem CID116805480
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one
SMILESCC(C)n1cc(OCCn2ccccc2=O)cn1
InChIInChI=1S/C13H17N3O2/c1-11(2)16-10-12(9-14-16)18-8-7-15-6-4-3-5-13(15)17/h3-6,9-11H,7-8H2,1-2H3
InChIKeyFCVBHCOPIKRPQI-UHFFFAOYSA-N
XLogP1.70
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
4-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]morpholine
CID 116805370
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile
CID 43289160
1-(furan-2-yl)-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethanamine
CID 116803887
2-bromo-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]aniline
CID 116803954
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
CID 103414014
1-[2-[4-(3-oxobutyl)phenoxy]ethyl]pyridin-2-one
CID 82898830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one?
The IUPAC name of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one (CID 116805480) is 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one is CC(C)n1cc(OCCn2ccccc2=O)cn1.
What is the InChIKey of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one?
The InChIKey is FCVBHCOPIKRPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-11(2)16-10-12(9-14-16)18-8-7-15-6-4-3-5-13(15)17/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one?
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one is sourced from PubChem (CID 116805480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).