5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid

C23H17FN2O3 — CID 59324710

IUPAC5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2OCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O3/c24-18-12-10-17(11-13-18)22-19(23(27)28)14-25-26(22)20-8-4-5-9-21(20)29-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,27,28)
InChIKeyLKBHBCNQBOMCMY-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.96
Rot. Bonds6

About 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid

5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid (PubChem CID 59324710) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid
PubChem CID59324710
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC Name5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2OCc2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H17FN2O3/c24-18-12-10-17(11-13-18)22-19(23(27)28)14-25-26(22)20-8-4-5-9-21(20)29-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,27,28)
InChIKeyLKBHBCNQBOMCMY-UHFFFAOYSA-N
XLogP4.96
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid (CID 59324710) is 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2OCc2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid?
The InChIKey is LKBHBCNQBOMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c24-18-12-10-17(11-13-18)22-19(23(27)28)14-25-26(22)20-8-4-5-9-21(20)29-15-16-6-2-1-3-7-16/h1-14H,15H2,(H,27,28).
What are the key properties of 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid?
5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid has a molecular weight of 388.40 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-(2-phenylmethoxyphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 59324710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).