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

C21H17FN2 — CID 4528379

IUPAC5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H17FN2/c22-18-13-11-16(12-14-18)20-15-21(17-7-3-1-4-8-17)24(23-20)19-9-5-2-6-10-19/h1-14,21H,15H2
InChIKeyBGLROEQCXZTUFA-UHFFFAOYSA-N
MW316.38 g/mol
LogP5.18
Rot. Bonds3

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

5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole (PubChem CID 4528379) has the molecular formula C21H17FN2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
PubChem CID4528379
Molecular FormulaC21H17FN2
Molecular Weight316.38 g/mol
Exact Mass316.14
IUPAC Name5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
SMILESFc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C21H17FN2/c22-18-13-11-16(12-14-18)20-15-21(17-7-3-1-4-8-17)24(23-20)19-9-5-2-6-10-19/h1-14,21H,15H2
InChIKeyBGLROEQCXZTUFA-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 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole (CID 4528379) is 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole is Fc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
The InChIKey is BGLROEQCXZTUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2/c22-18-13-11-16(12-14-18)20-15-21(17-7-3-1-4-8-17)24(23-20)19-9-5-2-6-10-19/h1-14,21H,15H2.
What are the key properties of 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole?
5-(4-fluorophenyl)-2,3-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 5-(4-fluorophenyl)-2,3-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 4528379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).