3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole

C23H19FN2 — CID 135064496

IUPAC3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole
SMILESCc1ccc(-c2ccc(-c3cc(-c4ccccc4F)nn3C)cc2)cc1
InChIInChI=1S/C23H19FN2/c1-16-7-9-17(10-8-16)18-11-13-19(14-12-18)23-15-22(25-26(23)2)20-5-3-4-6-21(20)24/h3-15H,1-2H3
InChIKeyNYGWKIVMYLMOEB-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.87
Rot. Bonds3

About 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole

3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole (PubChem CID 135064496) has the molecular formula C23H19FN2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole
PubChem CID135064496
Molecular FormulaC23H19FN2
Molecular Weight342.42 g/mol
Exact Mass342.15
IUPAC Name3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole
SMILESCc1ccc(-c2ccc(-c3cc(-c4ccccc4F)nn3C)cc2)cc1
InChIInChI=1S/C23H19FN2/c1-16-7-9-17(10-8-16)18-11-13-19(14-12-18)23-15-22(25-26(23)2)20-5-3-4-6-21(20)24/h3-15H,1-2H3
InChIKeyNYGWKIVMYLMOEB-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

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Difenzoquat
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E-55888
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4-(2-Fluorophenyl)-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazole
CID 152346369
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1,3,5-Triphenylpyrazole
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4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
1-Benzyl-4-(5-methyl-4-phenyl-pyrazol-1-yl)-piperidine
CID 9949442
1,3-Diphenyl-4,5,6,7-tetrahydro-1H-indazole
CID 15453871
3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole?
The IUPAC name of 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole (CID 135064496) is 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole.
What is the SMILES notation for 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole?
The canonical SMILES for 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole is Cc1ccc(-c2ccc(-c3cc(-c4ccccc4F)nn3C)cc2)cc1.
What is the InChIKey of 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole?
The InChIKey is NYGWKIVMYLMOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2/c1-16-7-9-17(10-8-16)18-11-13-19(14-12-18)23-15-22(25-26(23)2)20-5-3-4-6-21(20)24/h3-15H,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole?
3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole 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 3-(2-fluorophenyl)-1-methyl-5-[4-(4-methylphenyl)phenyl]pyrazole is sourced from PubChem (CID 135064496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).