3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid

C17H11Cl2FN2O3 — CID 3769052

IUPAC3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3cc(F)c(Cl)cc3Cl)cc2C(=O)O)cc1
InChIInChI=1S/C17H11Cl2FN2O3/c1-25-10-4-2-9(3-5-10)22-16(17(23)24)8-15(21-22)11-6-14(20)13(19)7-12(11)18/h2-8H,1H3,(H,23,24)
InChIKeyCPWJDGAPPJKEFZ-UHFFFAOYSA-N
MW381.19 g/mol
LogP4.69
Rot. Bonds4

About 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid

3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid (PubChem CID 3769052) has the molecular formula C17H11Cl2FN2O3 and a molecular weight of 381.19 g/mol. Its IUPAC name is 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
PubChem CID3769052
Molecular FormulaC17H11Cl2FN2O3
Molecular Weight381.19 g/mol
Exact Mass380.01
IUPAC Name3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1ccc(-n2nc(-c3cc(F)c(Cl)cc3Cl)cc2C(=O)O)cc1
InChIInChI=1S/C17H11Cl2FN2O3/c1-25-10-4-2-9(3-5-10)22-16(17(23)24)8-15(21-22)11-6-14(20)13(19)7-12(11)18/h2-8H,1H3,(H,23,24)
InChIKeyCPWJDGAPPJKEFZ-UHFFFAOYSA-N
XLogP4.69
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-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 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid (CID 3769052) is 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid is COc1ccc(-n2nc(-c3cc(F)c(Cl)cc3Cl)cc2C(=O)O)cc1.
What is the InChIKey of 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
The InChIKey is CPWJDGAPPJKEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2FN2O3/c1-25-10-4-2-9(3-5-10)22-16(17(23)24)8-15(21-22)11-6-14(20)13(19)7-12(11)18/h2-8H,1H3,(H,23,24).
What are the key properties of 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid?
3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid has a molecular weight of 381.19 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 3769052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).