2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

C17H14Cl2N2O2 — CID 7531928

IUPAC2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(COc1cc(Cl)ccc1Cl)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-6-7-14(19)16(10-13)23-11-17(22)21-9-8-15(20-21)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyZBHBFJWMEOAWJB-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.01
Rot. Bonds4

About 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 7531928) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID7531928
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESO=C(COc1cc(Cl)ccc1Cl)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H14Cl2N2O2/c18-13-6-7-14(19)16(10-13)23-11-17(22)21-9-8-15(20-21)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2
InChIKeyZBHBFJWMEOAWJB-UHFFFAOYSA-N
XLogP4.01
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2,4-dichlorophenyl)acetate
CID 7763347
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3-chlorobenzoate
CID 7506487
2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134036179
2-(2-benzylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26001928
N-[2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]phenyl]acetamide
CID 51075010
2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134011024
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,5-dichloro-1H-indole-2-carboxylate
CID 56808978
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 47013845
N,N,4-trimethyl-3-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]benzamide
CID 86992217
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 5-chlorothiophene-2-carboxylate
CID 7146966
2-(2,5-dichlorophenoxy)-1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 108759858
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 56530291

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 7531928) is 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is O=C(COc1cc(Cl)ccc1Cl)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is ZBHBFJWMEOAWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c18-13-6-7-14(19)16(10-13)23-11-17(22)21-9-8-15(20-21)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2.
What are the key properties of 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 349.22 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 7531928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).