3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole

C21H16F2N2 — CID 2826072

IUPAC3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H16F2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-13,21H,14H2
InChIKeyUKWYTWNGXNFWRR-UHFFFAOYSA-N
MW334.37 g/mol
LogP5.32
Rot. Bonds3

About 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole

3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 2826072) has the molecular formula C21H16F2N2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID2826072
Molecular FormulaC21H16F2N2
Molecular Weight334.37 g/mol
Exact Mass334.13
IUPAC Name3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C21H16F2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-13,21H,14H2
InChIKeyUKWYTWNGXNFWRR-UHFFFAOYSA-N
XLogP5.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.37
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole (CID 2826072) is 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole is Fc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is UKWYTWNGXNFWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2/c22-17-10-6-15(7-11-17)20-14-21(16-8-12-18(23)13-9-16)25(24-20)19-4-2-1-3-5-19/h1-13,21H,14H2.
What are the key properties of 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole?
3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 334.37 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2826072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).