(4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate

C20H18N2O4 — CID 16571292

IUPAC(4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H18N2O4/c1-15(23)17-5-9-19(10-6-17)25-14-20(24)26-13-16-3-7-18(8-4-16)22-12-2-11-21-22/h2-12H,13-14H2,1H3
InChIKeyKMDSXUOFXLHRFI-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.20
Rot. Bonds7

About (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate

(4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate (PubChem CID 16571292) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate
PubChem CID16571292
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate
SMILESCC(=O)c1ccc(OCC(=O)OCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H18N2O4/c1-15(23)17-5-9-19(10-6-17)25-14-20(24)26-13-16-3-7-18(8-4-16)22-12-2-11-21-22/h2-12H,13-14H2,1H3
InChIKeyKMDSXUOFXLHRFI-UHFFFAOYSA-N
XLogP3.20
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-pyrazol-1-ylphenyl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 16571324
(4-pyrazol-1-ylphenyl)methyl 2-(2-methoxy-4-methylphenoxy)acetate
CID 39605576
(4-pyrazol-1-ylphenyl)methyl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
CID 16571314
(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16571182
(4-pyrazol-1-ylphenyl)methyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 27831699
(4-pyrazol-1-ylphenyl)methyl 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 51535248
(4-pyrazol-1-ylphenyl)methyl 1-methylpyrazole-4-carboxylate
CID 40767413
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
(4-pyrazol-1-ylphenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16571120
(4-pyrazol-1-ylphenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate
CID 16569520

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate (CID 16571292) is (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate is CC(=O)c1ccc(OCC(=O)OCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate?
The InChIKey is KMDSXUOFXLHRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-15(23)17-5-9-19(10-6-17)25-14-20(24)26-13-16-3-7-18(8-4-16)22-12-2-11-21-22/h2-12H,13-14H2,1H3.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate?
(4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate has a molecular weight of 350.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 2-(4-acetylphenoxy)acetate is sourced from PubChem (CID 16571292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).