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

C19H20N2O2 — CID 134036179

IUPAC2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-14-8-9-18(15(2)12-14)23-13-19(22)21-11-10-17(20-21)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3
InChIKeySJKCHLLWNVCBFZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.32
Rot. Bonds4

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

2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 134036179) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID134036179
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)c(C)c1
InChIInChI=1S/C19H20N2O2/c1-14-8-9-18(15(2)12-14)23-13-19(22)21-11-10-17(20-21)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3
InChIKeySJKCHLLWNVCBFZ-UHFFFAOYSA-N
XLogP3.32
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134011024
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] 2-hydroxy-4-methylbenzoate
CID 7568609
2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 7531928
N-[2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]phenyl]acetamide
CID 51075010
2-(2-benzylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26001928
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844659
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethoxybenzoate
CID 7587084
2-(5,7-dichloro-2-methylquinolin-8-yl)oxy-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 47013845
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766734
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,3-diphenylpropanoate
CID 8752568
methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8710563

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 134036179) is 2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is Cc1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is SJKCHLLWNVCBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-8-9-18(15(2)12-14)23-13-19(22)21-11-10-17(20-21)16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 308.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 134036179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).