[1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone

C17H11FN2O3 — CID 4827601

IUPAC[1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(C(=O)c2ccccc2F)c1)c1ccccc1O
InChIInChI=1S/C17H11FN2O3/c18-14-7-3-1-5-12(14)17(23)20-10-11(9-19-20)16(22)13-6-2-4-8-15(13)21/h1-10,21H
InChIKeyOIRMTNOEHWHQAD-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.65
Rot. Bonds3

About [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone

[1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (PubChem CID 4827601) has the molecular formula C17H11FN2O3 and a molecular weight of 310.28 g/mol. Its IUPAC name is [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
PubChem CID4827601
Molecular FormulaC17H11FN2O3
Molecular Weight310.28 g/mol
Exact Mass310.08
IUPAC Name[1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(C(=O)c2ccccc2F)c1)c1ccccc1O
InChIInChI=1S/C17H11FN2O3/c18-14-7-3-1-5-12(14)17(23)20-10-11(9-19-20)16(22)13-6-2-4-8-15(13)21/h1-10,21H
InChIKeyOIRMTNOEHWHQAD-UHFFFAOYSA-N
XLogP2.65
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (CID 4827601) is [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone is O=C(c1cnn(C(=O)c2ccccc2F)c1)c1ccccc1O.
What is the InChIKey of [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is OIRMTNOEHWHQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O3/c18-14-7-3-1-5-12(14)17(23)20-10-11(9-19-20)16(22)13-6-2-4-8-15(13)21/h1-10,21H.
What are the key properties of [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
[1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 310.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 4827601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).