[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone

C15H9FN2O4 — CID 7998008

IUPAC[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnn(C(=O)c2ccco2)c1)c1cc(F)ccc1O
InChIInChI=1S/C15H9FN2O4/c16-10-3-4-12(19)11(6-10)14(20)9-7-17-18(8-9)15(21)13-2-1-5-22-13/h1-8,19H
InChIKeyFMCSLJPHSDSAOZ-UHFFFAOYSA-N
MW300.25 g/mol
LogP2.24
Rot. Bonds3

About [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone

[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone (PubChem CID 7998008) has the molecular formula C15H9FN2O4 and a molecular weight of 300.25 g/mol. Its IUPAC name is [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone
PubChem CID7998008
Molecular FormulaC15H9FN2O4
Molecular Weight300.25 g/mol
Exact Mass300.05
IUPAC Name[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1cnn(C(=O)c2ccco2)c1)c1cc(F)ccc1O
InChIInChI=1S/C15H9FN2O4/c16-10-3-4-12(19)11(6-10)14(20)9-7-17-18(8-9)15(21)13-2-1-5-22-13/h1-8,19H
InChIKeyFMCSLJPHSDSAOZ-UHFFFAOYSA-N
XLogP2.24
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone (CID 7998008) is [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone is O=C(c1cnn(C(=O)c2ccco2)c1)c1cc(F)ccc1O.
What is the InChIKey of [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
The InChIKey is FMCSLJPHSDSAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O4/c16-10-3-4-12(19)11(6-10)14(20)9-7-17-18(8-9)15(21)13-2-1-5-22-13/h1-8,19H.
What are the key properties of [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone?
[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone has a molecular weight of 300.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7998008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).