1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole

C22H17FN2O — CID 71568811

IUPAC1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H17FN2O/c1-26-22-10-6-5-9-19(22)20-15-21(16-7-3-2-4-8-16)25(24-20)18-13-11-17(23)12-14-18/h2-15H,1H3
InChIKeyPLSXWLCQNCFTKK-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.35
Rot. Bonds4

About 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole

1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole (PubChem CID 71568811) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
PubChem CID71568811
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
SMILESCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H17FN2O/c1-26-22-10-6-5-9-19(22)20-15-21(16-7-3-2-4-8-16)25(24-20)18-13-11-17(23)12-14-18/h2-15H,1H3
InChIKeyPLSXWLCQNCFTKK-UHFFFAOYSA-N
XLogP5.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568812
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
3,5-bis(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)pyrazole
CID 19587583
3-(2-methoxyphenyl)-1-phenylpyrazol-5-amine
CID 16770102
3,5-bis(2-fluorophenyl)-1-(4-fluorophenyl)pyrazole
CID 19587295
1,3,5-triphenylpyrazole
CID 626614
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
1-cyclohexyl-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71566841
4-[5-(4-fluorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]benzonitrile
CID 141141752
1-(4-fluorophenyl)-3-methoxy-5-(4-methylphenyl)pyrazole
CID 174579266
2-[5-fluoro-2-[5-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-3-yl]phenoxy]acetic acid
CID 155988272
3-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione
CID 16742301

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole (CID 71568811) is 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole is COc1ccccc1-c1cc(-c2ccccc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole?
The InChIKey is PLSXWLCQNCFTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O/c1-26-22-10-6-5-9-19(22)20-15-21(16-7-3-2-4-8-16)25(24-20)18-13-11-17(23)12-14-18/h2-15H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole?
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole has a molecular weight of 344.39 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole is sourced from PubChem (CID 71568811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).