5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole

C23H19FN2 — CID 135063685

IUPAC5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole
SMILESCc1cc(F)ccc1-c1ccc(-c2cc(-c3ccccc3)nn2C)cc1
InChIInChI=1S/C23H19FN2/c1-16-14-20(24)12-13-21(16)17-8-10-19(11-9-17)23-15-22(25-26(23)2)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyIAVLKSVXGVYWCI-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.87
Rot. Bonds3

About 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole

5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole (PubChem CID 135063685) has the molecular formula C23H19FN2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole.

Molecular Properties

Compound Name5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole
PubChem CID135063685
Molecular FormulaC23H19FN2
Molecular Weight342.42 g/mol
Exact Mass342.15
IUPAC Name5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole
SMILESCc1cc(F)ccc1-c1ccc(-c2cc(-c3ccccc3)nn2C)cc1
InChIInChI=1S/C23H19FN2/c1-16-14-20(24)12-13-21(16)17-8-10-19(11-9-17)23-15-22(25-26(23)2)18-6-4-3-5-7-18/h3-15H,1-2H3
InChIKeyIAVLKSVXGVYWCI-UHFFFAOYSA-N
XLogP5.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Difenzoquat metilsulfate
CID 39424
Difenzoquat
CID 39425
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
1,3,5-Triphenylpyrazole
CID 626614
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830
2-Benzyl-3-(2-fluorophenyl)-5-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 168273272
3,5-dimethyl-1-(2-phenylethyl)-1H-pyrazole
CID 573288
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-1-(phenylmethyl)-
CID 44385342
1-Benzyl-4-(3-methyl-5-phenyl-pyrazol-1-yl)-piperidine
CID 44459452
3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263098
1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263126

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole?
The IUPAC name of 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole (CID 135063685) is 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole.
What is the SMILES notation for 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole?
The canonical SMILES for 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole is Cc1cc(F)ccc1-c1ccc(-c2cc(-c3ccccc3)nn2C)cc1.
What is the InChIKey of 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole?
The InChIKey is IAVLKSVXGVYWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2/c1-16-14-20(24)12-13-21(16)17-8-10-19(11-9-17)23-15-22(25-26(23)2)18-6-4-3-5-7-18/h3-15H,1-2H3.
What are the key properties of 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole?
5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole has a molecular weight of 342.42 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluoro-2-methylphenyl)phenyl]-1-methyl-3-phenylpyrazole is sourced from PubChem (CID 135063685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).