5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole

C21H14F2N2 — CID 44547217

IUPAC5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole
SMILESFc1ccc(-c2ccc(-c3cc(-c4ccc(F)cc4)[nH]n3)cc2)cc1
InChIInChI=1S/C21H14F2N2/c22-18-9-5-15(6-10-18)14-1-3-16(4-2-14)20-13-21(25-24-20)17-7-11-19(23)12-8-17/h1-13H,(H,24,25)
InChIKeyUVADBEQYOHUVNT-UHFFFAOYSA-N
MW332.35 g/mol
LogP5.69
Rot. Bonds3

About 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole

5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole (PubChem CID 44547217) has the molecular formula C21H14F2N2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole
PubChem CID44547217
Molecular FormulaC21H14F2N2
Molecular Weight332.35 g/mol
Exact Mass332.11
IUPAC Name5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole
SMILESFc1ccc(-c2ccc(-c3cc(-c4ccc(F)cc4)[nH]n3)cc2)cc1
InChIInChI=1S/C21H14F2N2/c22-18-9-5-15(6-10-18)14-1-3-16(4-2-14)20-13-21(25-24-20)17-7-11-19(23)12-8-17/h1-13H,(H,24,25)
InChIKeyUVADBEQYOHUVNT-UHFFFAOYSA-N
XLogP5.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.35
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole (CID 44547217) is 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole is Fc1ccc(-c2ccc(-c3cc(-c4ccc(F)cc4)[nH]n3)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole?
The InChIKey is UVADBEQYOHUVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2/c22-18-9-5-15(6-10-18)14-1-3-16(4-2-14)20-13-21(25-24-20)17-7-11-19(23)12-8-17/h1-13H,(H,24,25).
What are the key properties of 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole?
5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole has a molecular weight of 332.35 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[4-(4-fluorophenyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 44547217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).