1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid

C11H9FN2O4 — CID 114840299

IUPAC1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESCOc1cc(-n2cc(O)c(C(=O)O)n2)ccc1F
InChIInChI=1S/C11H9FN2O4/c1-18-9-4-6(2-3-7(9)12)14-5-8(15)10(13-14)11(16)17/h2-5,15H,1H3,(H,16,17)
InChIKeyALPLOYASTHSFEM-UHFFFAOYSA-N
MW252.20 g/mol
LogP1.42
Rot. Bonds3

About 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid

1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid (PubChem CID 114840299) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid
PubChem CID114840299
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid
SMILESCOc1cc(-n2cc(O)c(C(=O)O)n2)ccc1F
InChIInChI=1S/C11H9FN2O4/c1-18-9-4-6(2-3-7(9)12)14-5-8(15)10(13-14)11(16)17/h2-5,15H,1H3,(H,16,17)
InChIKeyALPLOYASTHSFEM-UHFFFAOYSA-N
XLogP1.42
TPSA84.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid (CID 114840299) is 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid is COc1cc(-n2cc(O)c(C(=O)O)n2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid?
The InChIKey is ALPLOYASTHSFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c1-18-9-4-6(2-3-7(9)12)14-5-8(15)10(13-14)11(16)17/h2-5,15H,1H3,(H,16,17).
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid?
1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid has a molecular weight of 252.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-4-hydroxypyrazole-3-carboxylic acid is sourced from PubChem (CID 114840299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).