[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate

C20H17FN2O4 — CID 16611972

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H17FN2O4/c1-26-19-8-7-16(21)9-17(19)18(24)13-27-20(25)15-10-22-23(12-15)11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3
InChIKeyWFRTWIPTIKGNAY-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.12
Rot. Bonds7

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate (PubChem CID 16611972) 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] 1-benzylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate
PubChem CID16611972
Molecular FormulaC20H17FN2O4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C20H17FN2O4/c1-26-19-8-7-16(21)9-17(19)18(24)13-27-20(25)15-10-22-23(12-15)11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3
InChIKeyWFRTWIPTIKGNAY-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methoxybenzoate
CID 40565888
1-benzyl-N-(4-fluoro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 32610344
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate
CID 32935783
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
1-benzyl-N-(3-fluoro-4-methoxyphenyl)pyrazole-4-carboxamide
CID 86996428
[2-(2-methoxyphenyl)-2-oxoethyl] 4-(1,2,4-triazol-1-ylmethyl)benzoate
CID 18141816
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 7842393
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 3,3-diphenylpropanoate
CID 16611351
N-[(1-benzylpyrazol-4-yl)methyl]-2-methoxy-N-methylbenzamide
CID 31674674
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 24618559
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2,4-dimethylbenzoate
CID 8646530

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate (CID 16611972) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate is COc1ccc(F)cc1C(=O)COC(=O)c1cnn(Cc2ccccc2)c1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate?
The InChIKey is WFRTWIPTIKGNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O4/c1-26-19-8-7-16(21)9-17(19)18(24)13-27-20(25)15-10-22-23(12-15)11-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 1-benzylpyrazole-4-carboxylate has a molecular weight of 368.36 g/mol, XLogP of 3.12, 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] 1-benzylpyrazole-4-carboxylate is sourced from PubChem (CID 16611972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).