3-(4-fluorophenyl)-1,5-diphenylpyrazole

C21H15FN2 — CID 14978147

IUPAC3-(4-fluorophenyl)-1,5-diphenylpyrazole
SMILESFc1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H15FN2/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/h1-15H
InChIKeyAYQJPMMIVQDRAE-UHFFFAOYSA-N
MW314.36 g/mol
LogP5.35
Rot. Bonds3

About 3-(4-fluorophenyl)-1,5-diphenylpyrazole

3-(4-fluorophenyl)-1,5-diphenylpyrazole (PubChem CID 14978147) has the molecular formula C21H15FN2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1,5-diphenylpyrazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1,5-diphenylpyrazole
PubChem CID14978147
Molecular FormulaC21H15FN2
Molecular Weight314.36 g/mol
Exact Mass314.12
IUPAC Name3-(4-fluorophenyl)-1,5-diphenylpyrazole
SMILESFc1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H15FN2/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/h1-15H
InChIKeyAYQJPMMIVQDRAE-UHFFFAOYSA-N
XLogP5.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.36
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-triphenylpyrazole
CID 626614
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N,4-diphenylaniline
CID 59500037
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
1,5-bis[4-(3,5-diphenylpyrazol-1-yl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole
CID 71016751
5-[[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylidene]-4-(4-fluoroanilino)-1,3-thiazol-2-one
CID 3444833
3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-1-[5-(4-fluorophenyl)furan-2-yl]prop-2-en-1-one
CID 3444935
N-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-4-methyl-N-phenylaniline
CID 59499972
1-benzyl-3,5-bis(4-fluorophenyl)pyrazole
CID 19587500
5-(4-chlorophenyl)-3-(4-fluorophenyl)-1-(4-methylsulfonylphenyl)pyrazole
CID 54568096
4-(3,5-diphenylpyrazol-1-yl)benzenesulfonamide
CID 3878623

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1,5-diphenylpyrazole?
The IUPAC name of 3-(4-fluorophenyl)-1,5-diphenylpyrazole (CID 14978147) is 3-(4-fluorophenyl)-1,5-diphenylpyrazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1,5-diphenylpyrazole?
The canonical SMILES for 3-(4-fluorophenyl)-1,5-diphenylpyrazole is Fc1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1,5-diphenylpyrazole?
The InChIKey is AYQJPMMIVQDRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2/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/h1-15H.
What are the key properties of 3-(4-fluorophenyl)-1,5-diphenylpyrazole?
3-(4-fluorophenyl)-1,5-diphenylpyrazole has a molecular weight of 314.36 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1,5-diphenylpyrazole is sourced from PubChem (CID 14978147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).