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

C18H18N2O2 — CID 134011024

IUPAC2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-7-9-16(10-8-14)22-13-18(21)20-12-11-17(19-20)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyHWGNBLHBCKPPIE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.01
Rot. Bonds4

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

2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (PubChem CID 134011024) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
PubChem CID134011024
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
SMILESCc1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)cc1
InChIInChI=1S/C18H18N2O2/c1-14-7-9-16(10-8-14)22-13-18(21)20-12-11-17(19-20)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyHWGNBLHBCKPPIE-UHFFFAOYSA-N
XLogP3.01
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.01
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] 3-(4-methylphenoxy)propanoate
CID 9139605
2-(2,4-dimethylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134036179
1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
CID 66866499
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-hydroxy-4-methylbenzoate
CID 7568609
N-[2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethoxy]phenyl]acetamide
CID 51075010
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2,5-dimethoxybenzoate
CID 7587084
2-(2-benzylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26001928
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-(2-ethoxyphenoxy)acetate
CID 7844659
2-(2,5-dichlorophenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 7531928
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 9107155
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 3,3-diphenylpropanoate
CID 8752568

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone (CID 134011024) is 2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is Cc1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
The InChIKey is HWGNBLHBCKPPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-7-9-16(10-8-14)22-13-18(21)20-12-11-17(19-20)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone?
2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone has a molecular weight of 294.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone is sourced from PubChem (CID 134011024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).