3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole

C21H13F3N2 — CID 19587295

IUPAC3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)cc1
InChIInChI=1S/C21H13F3N2/c22-14-9-11-15(12-10-14)26-21(17-6-2-4-8-19(17)24)13-20(25-26)16-5-1-3-7-18(16)23/h1-13H
InChIKeyJKWYLFCYPUAXPI-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.62
Rot. Bonds3

About 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole

3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole (PubChem CID 19587295) has the molecular formula C21H13F3N2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole
PubChem CID19587295
Molecular FormulaC21H13F3N2
Molecular Weight350.34 g/mol
Exact Mass350.10
IUPAC Name3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)cc1
InChIInChI=1S/C21H13F3N2/c22-14-9-11-15(12-10-14)26-21(17-6-2-4-8-19(17)24)13-20(25-26)16-5-1-3-7-18(16)23/h1-13H
InChIKeyJKWYLFCYPUAXPI-UHFFFAOYSA-N
XLogP5.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole?
The IUPAC name of 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole (CID 19587295) is 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole.
What is the SMILES notation for 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole?
The canonical SMILES for 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole is Fc1ccc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)cc1.
What is the InChIKey of 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole?
The InChIKey is JKWYLFCYPUAXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2/c22-14-9-11-15(12-10-14)26-21(17-6-2-4-8-19(17)24)13-20(25-26)16-5-1-3-7-18(16)23/h1-13H.
What are the key properties of 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole?
3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole has a molecular weight of 350.34 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole is sourced from PubChem (CID 19587295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).