3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one

C15H10Cl2N2O — CID 70584331

IUPAC3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)[nH]1
InChIInChI=1S/C15H10Cl2N2O/c16-12-7-6-10(8-13(12)17)14-9-15(20)18-19(14)11-4-2-1-3-5-11/h1-9H,(H,18,20)
InChIKeyKSTWHHULCHLXAN-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.14
Rot. Bonds2

About 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one

3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one (PubChem CID 70584331) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one
PubChem CID70584331
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one
SMILESO=c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)[nH]1
InChIInChI=1S/C15H10Cl2N2O/c16-12-7-6-10(8-13(12)17)14-9-15(20)18-19(14)11-4-2-1-3-5-11/h1-9H,(H,18,20)
InChIKeyKSTWHHULCHLXAN-UHFFFAOYSA-N
XLogP4.14
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one (CID 70584331) is 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one is O=c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)[nH]1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one?
The InChIKey is KSTWHHULCHLXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c16-12-7-6-10(8-13(12)17)14-9-15(20)18-19(14)11-4-2-1-3-5-11/h1-9H,(H,18,20).
What are the key properties of 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one?
3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one has a molecular weight of 305.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 70584331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).