[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate

C20H17FN2O4 — CID 32935783

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H17FN2O4/c1-26-19-8-7-15(21)10-17(19)18(24)13-27-20(25)9-14-11-22-23(12-14)16-5-3-2-4-6-16/h2-8,10-12H,9,13H2,1H3
InChIKeyGBTSOYZAUMEJHB-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.99
Rot. Bonds7

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate (PubChem CID 32935783) has the molecular formula C20H17FN2O4 and a molecular weight of 368.36 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
PubChem CID32935783
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H17FN2O4/c1-26-19-8-7-15(21)10-17(19)18(24)13-27-20(25)9-14-11-22-23(12-14)16-5-3-2-4-6-16/h2-8,10-12H,9,13H2,1H3
InChIKeyGBTSOYZAUMEJHB-UHFFFAOYSA-N
XLogP2.99
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate
CID 16611972
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
methyl 2-methoxy-5-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 51329846
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 31022186
N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804310
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
(5-fluoro-2-methoxyphenyl)methyl 2-phenylacetate
CID 55319464
1-(3-fluoro-4-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 18135903
(6-chloro-3-pyridinyl)methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 46542882

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate (CID 32935783) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate is COc1ccc(F)cc1C(=O)COC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
The InChIKey is GBTSOYZAUMEJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-26-19-8-7-15(21)10-17(19)18(24)13-27-20(25)9-14-11-22-23(12-14)16-5-3-2-4-6-16/h2-8,10-12H,9,13H2,1H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate has a molecular weight of 368.36 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate is sourced from PubChem (CID 32935783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).