5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one

C18H18N2O2 — CID 22769268

IUPAC5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one
SMILESO=c1cc(Cc2ccccc2)[nH]n1CCOc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-18-14-16(13-15-7-3-1-4-8-15)19-20(18)11-12-22-17-9-5-2-6-10-17/h1-10,14,19H,11-13H2
InChIKeyVPUUEEWPABPDMI-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.85
Rot. Bonds6

About 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one

5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one (PubChem CID 22769268) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one
PubChem CID22769268
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one
SMILESO=c1cc(Cc2ccccc2)[nH]n1CCOc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-18-14-16(13-15-7-3-1-4-8-15)19-20(18)11-12-22-17-9-5-2-6-10-17/h1-10,14,19H,11-13H2
InChIKeyVPUUEEWPABPDMI-UHFFFAOYSA-N
XLogP2.85
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(5-benzyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carbonitrile
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3-benzyl-5-methyl-1-(2-phenoxyethyl)pyrimidine-2,4-dione
CID 5302093
5-amino-2-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-one
CID 20571000
2-[2-(3,4-dichlorophenoxy)ethyl]-5-methyl-1H-pyrazol-3-one
CID 20571018
1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
CID 10711066
2-(2-phenoxyethyl)pyridazin-3-one
CID 176899084
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
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5-methyl-2-[2-(10H-phenothiazin-3-yloxy)ethyl]-1H-pyrazol-3-one
CID 91935014

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one?
The IUPAC name of 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one (CID 22769268) is 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one is O=c1cc(Cc2ccccc2)[nH]n1CCOc1ccccc1.
What is the InChIKey of 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one?
The InChIKey is VPUUEEWPABPDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-18-14-16(13-15-7-3-1-4-8-15)19-20(18)11-12-22-17-9-5-2-6-10-17/h1-10,14,19H,11-13H2.
What are the key properties of 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one?
5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one has a molecular weight of 294.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(2-phenoxyethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 22769268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).