3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole

C21H17FN2 — CID 5057683

IUPAC3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESFc1ccccc1C1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C21H17FN2/c22-19-14-8-7-13-18(19)21-15-20(16-9-3-1-4-10-16)23-24(21)17-11-5-2-6-12-17/h1-14,21H,15H2
InChIKeyGWLVGNAEQKIXIC-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.18
Rot. Bonds3

About 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole

3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 5057683) has the molecular formula C21H17FN2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID5057683
Molecular FormulaC21H17FN2
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESFc1ccccc1C1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C21H17FN2/c22-19-14-8-7-13-18(19)21-15-20(16-9-3-1-4-10-16)23-24(21)17-11-5-2-6-12-17/h1-14,21H,15H2
InChIKeyGWLVGNAEQKIXIC-UHFFFAOYSA-N
XLogP5.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.38
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole (CID 5057683) is 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole is Fc1ccccc1C1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is GWLVGNAEQKIXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2/c22-19-14-8-7-13-18(19)21-15-20(16-9-3-1-4-10-16)23-24(21)17-11-5-2-6-12-17/h1-14,21H,15H2.
What are the key properties of 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole?
3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 316.38 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 5057683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).