1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid

C23H17FN2O3 — CID 101091522

IUPAC1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)c(-c3ccccc3)c2C(=O)O)c1
InChIInChI=1S/C23H17FN2O3/c1-29-19-9-5-8-16(14-19)21-20(23(27)28)22(15-6-3-2-4-7-15)26(25-21)18-12-10-17(24)11-13-18/h2-14H,1H3,(H,27,28)
InChIKeyCJLIUJBTUPJXFK-UHFFFAOYSA-N
MW388.40 g/mol
LogP5.05
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid (PubChem CID 101091522) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
PubChem CID101091522
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)c(-c3ccccc3)c2C(=O)O)c1
InChIInChI=1S/C23H17FN2O3/c1-29-19-9-5-8-16(14-19)21-20(23(27)28)22(15-6-3-2-4-7-15)26(25-21)18-12-10-17(24)11-13-18/h2-14H,1H3,(H,27,28)
InChIKeyCJLIUJBTUPJXFK-UHFFFAOYSA-N
XLogP5.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-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

3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3849112
1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034
1-(4-fluorophenyl)-5-methoxy-3-methylpyrazole-4-carboxylic acid
CID 117124258
(4-methoxyphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 10884492
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 4988708
methyl 1-(4-fluorophenyl)-5-methyl-3-phenylpyrazole-4-carboxylate
CID 50901872
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3831748
8-fluoro-1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazolo[4,3-c]quinoline
CID 20852834
3,5-bis(3-methoxyphenyl)-4-methyl-1-(4-methylphenyl)pyrazole
CID 19587307
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3859853
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-b]azepine
CID 4270840

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid (CID 101091522) is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid is COc1cccc(-c2nn(-c3ccc(F)cc3)c(-c3ccccc3)c2C(=O)O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid?
The InChIKey is CJLIUJBTUPJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-29-19-9-5-8-16(14-19)21-20(23(27)28)22(15-6-3-2-4-7-15)26(25-21)18-12-10-17(24)11-13-18/h2-14H,1H3,(H,27,28).
What are the key properties of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid?
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid has a molecular weight of 388.40 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 101091522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).