1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone

C14H15ClN2O2 — CID 113223262

IUPAC1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-9-13(14(15)17(3)16-9)8-19-12-6-4-11(5-7-12)10(2)18/h4-7H,8H2,1-3H3
InChIKeyFKOVGXTWIYNXMI-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.16
Rot. Bonds4

About 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone

1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 113223262) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone
PubChem CID113223262
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C14H15ClN2O2/c1-9-13(14(15)17(3)16-9)8-19-12-6-4-11(5-7-12)10(2)18/h4-7H,8H2,1-3H3
InChIKeyFKOVGXTWIYNXMI-UHFFFAOYSA-N
XLogP3.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanamine
CID 104862003
1-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-4-fluorophenyl]ethanone
CID 115619394
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1-benzofuran-3-one
CID 115582303
1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanone
CID 107043044
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 115582249
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
5-chloro-4-[(2,4-dimethylphenoxy)methyl]-1,3-dimethylpyrazole
CID 54920811
2-chloro-3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]pyridine
CID 115634537
1-(4-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 115799537
5-chloro-4-[[2-(chloromethyl)phenoxy]methyl]-1,3-dimethylpyrazole
CID 113470016
1,3-dimethyl-4-[(4-methylphenoxy)methyl]pyrazol-5-amine
CID 62195674

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone (CID 113223262) is 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2c(C)nn(C)c2Cl)cc1.
What is the InChIKey of 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is FKOVGXTWIYNXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-13(14(15)17(3)16-9)8-19-12-6-4-11(5-7-12)10(2)18/h4-7H,8H2,1-3H3.
What are the key properties of 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone?
1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 278.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 113223262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).