6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one

C14H13ClN2O3 — CID 115582303

IUPAC6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one
SMILESCc1nn(C)c(Cl)c1COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C14H13ClN2O3/c1-8-11(14(15)17(2)16-8)6-19-9-3-4-10-12(18)7-20-13(10)5-9/h3-5H,6-7H2,1-2H3
InChIKeyGFCRZZZTUHDHBZ-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.54
Rot. Bonds3

About 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one

6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one (PubChem CID 115582303) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one.

Molecular Properties

Compound Name6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one
PubChem CID115582303
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one
SMILESCc1nn(C)c(Cl)c1COc1ccc2c(c1)OCC2=O
InChIInChI=1S/C14H13ClN2O3/c1-8-11(14(15)17(2)16-8)6-19-9-3-4-10-12(18)7-20-13(10)5-9/h3-5H,6-7H2,1-2H3
InChIKeyGFCRZZZTUHDHBZ-UHFFFAOYSA-N
XLogP2.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-ethylphenyl)methoxy]-1-benzofuran-3-one
CID 63097467
1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 113223262
6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)-1-benzofuran-3-one
CID 107077914
(1S)-1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 104862003
6-methoxy-1-benzofuran-3-one
CID 585368
6-(3,3-dimethylbutoxy)-1-benzofuran-3-one
CID 55025234
6-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-3-one
CID 60771964
2-[(3-oxo-1-benzofuran-6-yl)oxy]acetamide
CID 60772542
6-(2-propoxyethoxy)-1-benzofuran-3-one
CID 106452922
6-pent-3-ynoxy-1-benzofuran-3-one
CID 104807818
6-(3-methyl-2-oxobutoxy)-1-benzofuran-3-one
CID 79395503
ethyl 3-[(3-oxo-1-benzofuran-6-yl)oxy]propanoate
CID 43516984

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one?
The IUPAC name of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one (CID 115582303) is 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one.
What is the SMILES notation for 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one?
The canonical SMILES for 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one is Cc1nn(C)c(Cl)c1COc1ccc2c(c1)OCC2=O.
What is the InChIKey of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one?
The InChIKey is GFCRZZZTUHDHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8-11(14(15)17(2)16-8)6-19-9-3-4-10-12(18)7-20-13(10)5-9/h3-5H,6-7H2,1-2H3.
What are the key properties of 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one?
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one has a molecular weight of 292.72 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one is sourced from PubChem (CID 115582303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).