2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone

C12H11ClN2O2 — CID 103133858

IUPAC2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2/c1-15-7-6-11(14-15)12(16)8-17-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3
InChIKeyHDTOMSGVDMMHMP-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.34
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone

2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 103133858) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone
PubChem CID103133858
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone
SMILESCn1ccc(C(=O)COc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O2/c1-15-7-6-11(14-15)12(16)8-17-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3
InChIKeyHDTOMSGVDMMHMP-UHFFFAOYSA-N
XLogP2.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 19329147
2-ethoxy-1-(1-methylpyrazol-3-yl)ethanone
CID 79567430
N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 40560911
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
azanium 2-(4-chlorophenoxy)acetate
CID 142591022
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(4-chlorophenoxy)ethanone
CID 105130160
2-(4-chlorophenoxy)-1-pyridin-3-ylethanone
CID 86157573
(2,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195527
3-methoxy-3-methyl-1-(1-methylpyrazol-3-yl)butan-1-one
CID 103133867
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-(4-chlorophenoxy)acetyl iodide
CID 134255037
2-[2-[2-(4-chlorophenoxy)acetyl]pyrrol-1-yl]ethyl-dimethylazanium chloride
CID 26794

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone (CID 103133858) is 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone is Cn1ccc(C(=O)COc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is HDTOMSGVDMMHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-15-7-6-11(14-15)12(16)8-17-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone?
2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 250.69 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 103133858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).