1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone

C18H12F2N2O4 — CID 2116207

IUPAC1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESO=C(c1cnn(C(=O)COc2ccccc2F)c1)c1cc(F)ccc1O
InChIInChI=1S/C18H12F2N2O4/c19-12-5-6-15(23)13(7-12)18(25)11-8-21-22(9-11)17(24)10-26-16-4-2-1-3-14(16)20/h1-9,23H,10H2
InChIKeyXOMSIZMVZRPPGE-UHFFFAOYSA-N
MW358.30 g/mol
LogP2.82
Rot. Bonds5

About 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone

1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 2116207) has the molecular formula C18H12F2N2O4 and a molecular weight of 358.30 g/mol. Its IUPAC name is 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone
PubChem CID2116207
Molecular FormulaC18H12F2N2O4
Molecular Weight358.30 g/mol
Exact Mass358.08
IUPAC Name1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESO=C(c1cnn(C(=O)COc2ccccc2F)c1)c1cc(F)ccc1O
InChIInChI=1S/C18H12F2N2O4/c19-12-5-6-15(23)13(7-12)18(25)11-8-21-22(9-11)17(24)10-26-16-4-2-1-3-14(16)20/h1-9,23H,10H2
InChIKeyXOMSIZMVZRPPGE-UHFFFAOYSA-N
XLogP2.82
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone (CID 2116207) is 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone is O=C(c1cnn(C(=O)COc2ccccc2F)c1)c1cc(F)ccc1O.
What is the InChIKey of 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone?
The InChIKey is XOMSIZMVZRPPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N2O4/c19-12-5-6-15(23)13(7-12)18(25)11-8-21-22(9-11)17(24)10-26-16-4-2-1-3-14(16)20/h1-9,23H,10H2.
What are the key properties of 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone?
1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 358.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 2116207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).