2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one

C23H19ClN2O2 — CID 22769184

IUPAC2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)[nH]n1CCOc1ccccc1Cl
InChIInChI=1S/C23H19ClN2O2/c24-19-13-7-8-14-20(19)28-16-15-26-23(27)21(17-9-3-1-4-10-17)22(25-26)18-11-5-2-6-12-18/h1-14,25H,15-16H2
InChIKeyPIQLHDQTESWAMG-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.24
Rot. Bonds6

About 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one

2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one (PubChem CID 22769184) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one
PubChem CID22769184
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Name2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one
SMILESO=c1c(-c2ccccc2)c(-c2ccccc2)[nH]n1CCOc1ccccc1Cl
InChIInChI=1S/C23H19ClN2O2/c24-19-13-7-8-14-20(19)28-16-15-26-23(27)21(17-9-3-1-4-10-17)22(25-26)18-11-5-2-6-12-18/h1-14,25H,15-16H2
InChIKeyPIQLHDQTESWAMG-UHFFFAOYSA-N
XLogP5.24
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one?
The IUPAC name of 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one (CID 22769184) is 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one is O=c1c(-c2ccccc2)c(-c2ccccc2)[nH]n1CCOc1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one?
The InChIKey is PIQLHDQTESWAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c24-19-13-7-8-14-20(19)28-16-15-26-23(27)21(17-9-3-1-4-10-17)22(25-26)18-11-5-2-6-12-18/h1-14,25H,15-16H2.
What are the key properties of 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one?
2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one has a molecular weight of 390.87 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenoxy)ethyl]-4,5-diphenyl-1H-pyrazol-3-one is sourced from PubChem (CID 22769184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).