5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid

C18H15FN2O4 — CID 118395944

IUPAC5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cc(C(=O)O)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O4/c1-24-15-4-3-5-16(25-2)17(15)14-10-13(18(22)23)20-21(14)12-8-6-11(19)7-9-12/h3-10H,1-2H3,(H,22,23)
InChIKeyYXZZFYTZKLINTK-UHFFFAOYSA-N
MW342.33 g/mol
LogP3.39
Rot. Bonds5

About 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid

5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid (PubChem CID 118395944) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
PubChem CID118395944
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cc(C(=O)O)nn1-c1ccc(F)cc1
InChIInChI=1S/C18H15FN2O4/c1-24-15-4-3-5-16(25-2)17(15)14-10-13(18(22)23)20-21(14)12-8-6-11(19)7-9-12/h3-10H,1-2H3,(H,22,23)
InChIKeyYXZZFYTZKLINTK-UHFFFAOYSA-N
XLogP3.39
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,6-dimethoxyphenyl)-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

Related Compounds

1-(3-carboxy-4-chlorophenyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 22111795
4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 118568863
methyl (4R)-4-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-2-oxopentanoate
CID 139393478
methyl 1-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 118395916
methyl (2S)-2-[[5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-phenylpropanoate
CID 118568645
5-(2,6-dimethoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carboxylic acid
CID 118395913
(3S)-3-[[5-[2-(carboxymethoxy)-6-methoxyphenyl]-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-5-methylhexanoic acid
CID 118568789
1-(2-amino-1,3-dioxobenzo[de]isoquinolin-6-yl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxylic acid
CID 23364597
1-(4-fluorophenyl)-5-(methoxymethyl)pyrazole-3-carboxylic acid
CID 82362057
5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid
CID 23364588
4-[5-(2,6-dimethoxyphenyl)-3-ethoxycarbonylpyrazol-1-yl]-2-propan-2-ylbenzoic acid
CID 54558396
5-(4-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 68642030

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid (CID 118395944) is 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid is COc1cccc(OC)c1-c1cc(C(=O)O)nn1-c1ccc(F)cc1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is YXZZFYTZKLINTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-24-15-4-3-5-16(25-2)17(15)14-10-13(18(22)23)20-21(14)12-8-6-11(19)7-9-12/h3-10H,1-2H3,(H,22,23).
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 342.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 118395944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).