4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one

C24H21FN2O2 — CID 90154058

IUPAC4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
SMILESCOc1ccc(-c2[nH]n(-c3ccccc3)c(=O)c2CCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O2/c1-29-21-14-10-18(11-15-21)23-22(16-9-17-7-12-19(25)13-8-17)24(28)27(26-23)20-5-3-2-4-6-20/h2-8,10-15,26H,9,16H2,1H3
InChIKeyYFMZSDVCRGTNPB-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.77
Rot. Bonds6

About 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one

4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 90154058) has the molecular formula C24H21FN2O2 and a molecular weight of 388.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
PubChem CID90154058
Molecular FormulaC24H21FN2O2
Molecular Weight388.44 g/mol
Exact Mass388.16
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
SMILESCOc1ccc(-c2[nH]n(-c3ccccc3)c(=O)c2CCc2ccc(F)cc2)cc1
InChIInChI=1S/C24H21FN2O2/c1-29-21-14-10-18(11-15-21)23-22(16-9-17-7-12-19(25)13-8-17)24(28)27(26-23)20-5-3-2-4-6-20/h2-8,10-15,26H,9,16H2,1H3
InChIKeyYFMZSDVCRGTNPB-UHFFFAOYSA-N
XLogP4.77
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one (CID 90154058) is 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one is COc1ccc(-c2[nH]n(-c3ccccc3)c(=O)c2CCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is YFMZSDVCRGTNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2/c1-29-21-14-10-18(11-15-21)23-22(16-9-17-7-12-19(25)13-8-17)24(28)27(26-23)20-5-3-2-4-6-20/h2-8,10-15,26H,9,16H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one?
4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 388.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 90154058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).