5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid

C17H9ClFN3O2 — CID 58277286

IUPAC5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid
SMILESN#Cc1cccc(-n2nc(C(=O)O)cc2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H9ClFN3O2/c18-13-7-11(4-5-14(13)19)16-8-15(17(23)24)21-22(16)12-3-1-2-10(6-12)9-20/h1-8H,(H,23,24)
InChIKeyJGEOXFZVCBSZOF-UHFFFAOYSA-N
MW341.73 g/mol
LogP3.90
Rot. Bonds3

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

5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid (PubChem CID 58277286) has the molecular formula C17H9ClFN3O2 and a molecular weight of 341.73 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid
PubChem CID58277286
Molecular FormulaC17H9ClFN3O2
Molecular Weight341.73 g/mol
Exact Mass341.04
IUPAC Name5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid
SMILESN#Cc1cccc(-n2nc(C(=O)O)cc2-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H9ClFN3O2/c18-13-7-11(4-5-14(13)19)16-8-15(17(23)24)21-22(16)12-3-1-2-10(6-12)9-20/h1-8H,(H,23,24)
InChIKeyJGEOXFZVCBSZOF-UHFFFAOYSA-N
XLogP3.90
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid (CID 58277286) is 5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid is N#Cc1cccc(-n2nc(C(=O)O)cc2-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid?
The InChIKey is JGEOXFZVCBSZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFN3O2/c18-13-7-11(4-5-14(13)19)16-8-15(17(23)24)21-22(16)12-3-1-2-10(6-12)9-20/h1-8H,(H,23,24).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid?
5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid has a molecular weight of 341.73 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-1-(3-cyanophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 58277286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).