3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide

C15H16FN3O3 — CID 126833842

IUPAC3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(C2CCCCO2)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C15H16FN3O3/c16-12-7-10(4-5-13(12)20)15(21)18-11-8-17-19(9-11)14-3-1-2-6-22-14/h4-5,7-9,14,20H,1-3,6H2,(H,18,21)
InChIKeyFTAFGEFJBDMTOB-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.68
Rot. Bonds3

About 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide

3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide (PubChem CID 126833842) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide
PubChem CID126833842
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(C2CCCCO2)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C15H16FN3O3/c16-12-7-10(4-5-13(12)20)15(21)18-11-8-17-19(9-11)14-3-1-2-6-22-14/h4-5,7-9,14,20H,1-3,6H2,(H,18,21)
InChIKeyFTAFGEFJBDMTOB-UHFFFAOYSA-N
XLogP2.68
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide (CID 126833842) is 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide is O=C(Nc1cnn(C2CCCCO2)c1)c1ccc(O)c(F)c1.
What is the InChIKey of 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide?
The InChIKey is FTAFGEFJBDMTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-12-7-10(4-5-13(12)20)15(21)18-11-8-17-19(9-11)14-3-1-2-6-22-14/h4-5,7-9,14,20H,1-3,6H2,(H,18,21).
What are the key properties of 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide?
3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide has a molecular weight of 305.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxy-N-[1-(oxan-2-yl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 126833842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).