2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone

C11H8ClFN2O2 — CID 2971337

IUPAC2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone
SMILESO=C(COc1ccc(F)c(Cl)c1)n1cccn1
InChIInChI=1S/C11H8ClFN2O2/c12-9-6-8(2-3-10(9)13)17-7-11(16)15-5-1-4-14-15/h1-6H,7H2
InChIKeyXVFAEDUFOQKUKJ-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.39
Rot. Bonds3

About 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone

2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone (PubChem CID 2971337) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone
PubChem CID2971337
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone
SMILESO=C(COc1ccc(F)c(Cl)c1)n1cccn1
InChIInChI=1S/C11H8ClFN2O2/c12-9-6-8(2-3-10(9)13)17-7-11(16)15-5-1-4-14-15/h1-6H,7H2
InChIKeyXVFAEDUFOQKUKJ-UHFFFAOYSA-N
XLogP2.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(2-chloro-4-fluorophenoxy)methyl]pyrazol-4-yl]-2-methoxyacetamide
CID 35592974
3-(4-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47035676
N-[2-(3-chlorophenoxy)ethyl]-3-pyrazol-1-ylpropanamide
CID 47036478
2-(3-chlorophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 49088847
1-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 52907341
4-bromo-1-(phenoxyacetyl)-1H-pyrazole
CID 728301
2-(2,4-dichlorophenoxy)-1-(1H-pyrazol-1-yl)ethanone
CID 887775
2-(4-Chlorophenoxy)-1-(3-methylpyrazolyl)ethan-1-one
CID 969085
1-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)-2-(4-chlorophenoxy)-2-methylpropan-1-one
CID 52906659
N-(2-(4-fluorophenoxy)ethyl)-2-(1H-pyrazol-1-yl)acetamide
CID 49670615
2-(3,4-difluorophenoxy)-1-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 164636125
1-[2-(3,5-Difluorophenoxy)ethyl]pyrazole
CID 141414872

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone (CID 2971337) is 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone is O=C(COc1ccc(F)c(Cl)c1)n1cccn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone?
The InChIKey is XVFAEDUFOQKUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c12-9-6-8(2-3-10(9)13)17-7-11(16)15-5-1-4-14-15/h1-6H,7H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone?
2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone has a molecular weight of 254.65 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-1-pyrazol-1-ylethanone is sourced from PubChem (CID 2971337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).