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

C13H14FN3O3 — CID 103940122

IUPAC2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
SMILESCOCCn1cc(NC(=O)c2ccc(O)cc2F)cn1
InChIInChI=1S/C13H14FN3O3/c1-20-5-4-17-8-9(7-15-17)16-13(19)11-3-2-10(18)6-12(11)14/h2-3,6-8,18H,4-5H2,1H3,(H,16,19)
InChIKeyXHYXLFZLHNLEEU-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.63
Rot. Bonds5

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

2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide (PubChem CID 103940122) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
PubChem CID103940122
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Name2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
SMILESCOCCn1cc(NC(=O)c2ccc(O)cc2F)cn1
InChIInChI=1S/C13H14FN3O3/c1-20-5-4-17-8-9(7-15-17)16-13(19)11-3-2-10(18)6-12(11)14/h2-3,6-8,18H,4-5H2,1H3,(H,16,19)
InChIKeyXHYXLFZLHNLEEU-UHFFFAOYSA-N
XLogP1.63
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)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 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide (CID 103940122) is 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide is COCCn1cc(NC(=O)c2ccc(O)cc2F)cn1.
What is the InChIKey of 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
The InChIKey is XHYXLFZLHNLEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-20-5-4-17-8-9(7-15-17)16-13(19)11-3-2-10(18)6-12(11)14/h2-3,6-8,18H,4-5H2,1H3,(H,16,19).
What are the key properties of 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide?
2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide has a molecular weight of 279.27 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 103940122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).