5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid

C18H13FN2O3 — CID 10592046

IUPAC5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
SMILESCC(=O)c1ccc(-c2cc(C(=O)O)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13FN2O3/c1-11(22)12-2-4-13(5-3-12)17-10-16(18(23)24)20-21(17)15-8-6-14(19)7-9-15/h2-10H,1H3,(H,23,24)
InChIKeyJPWGAVNLFWRPFA-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.58
Rot. Bonds4

About 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid

5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid (PubChem CID 10592046) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
PubChem CID10592046
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC Name5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
SMILESCC(=O)c1ccc(-c2cc(C(=O)O)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H13FN2O3/c1-11(22)12-2-4-13(5-3-12)17-10-16(18(23)24)20-21(17)15-8-6-14(19)7-9-15/h2-10H,1H3,(H,23,24)
InChIKeyJPWGAVNLFWRPFA-UHFFFAOYSA-N
XLogP3.58
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid 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 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid (CID 10592046) is 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid is CC(=O)c1ccc(-c2cc(C(=O)O)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is JPWGAVNLFWRPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c1-11(22)12-2-4-13(5-3-12)17-10-16(18(23)24)20-21(17)15-8-6-14(19)7-9-15/h2-10H,1H3,(H,23,24).
What are the key properties of 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 324.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 10592046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).