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

C16H12Cl2N2O — CID 104844863

IUPAC2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH]n(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C16H12Cl2N2O/c1-10-15(11-5-3-2-4-6-11)19-20(16(10)21)14-8-7-12(17)9-13(14)18/h2-9,19H,1H3
InChIKeySNYYHJDYUPTGOC-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.45
Rot. Bonds2

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

2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one (PubChem CID 104844863) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one
PubChem CID104844863
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one
SMILESCc1c(-c2ccccc2)[nH]n(-c2ccc(Cl)cc2Cl)c1=O
InChIInChI=1S/C16H12Cl2N2O/c1-10-15(11-5-3-2-4-6-11)19-20(16(10)21)14-8-7-12(17)9-13(14)18/h2-9,19H,1H3
InChIKeySNYYHJDYUPTGOC-UHFFFAOYSA-N
XLogP4.45
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844857
2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
CID 10899399
1-(2,4-dichlorophenyl)-3-methyl-2,6-diphenylpyridin-4-one
CID 14303623
2-(2,4-dichlorophenyl)-1H-pyrazol-3-one
CID 112656212
2-[(2-chlorophenyl)methyl]-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844908
4-amino-2-(2,4-dimethylphenyl)-5-phenyl-1H-pyrazol-3-one
CID 103995003
2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 134938574
4-amino-2-(3-chloro-4-methylphenyl)-5-phenyl-1H-pyrazol-3-one
CID 103994908
4-methyl-2-[(4-methylphenyl)methyl]-5-phenyl-1H-pyrazol-3-one
CID 104844877
2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one
CID 745846
1-(2,4-dichlorophenyl)-3-phenylpyrazol-5-amine
CID 43381347
2-(2,5-dichlorophenyl)-4-methyl-5-phenyl-1,2,4-triazol-3-one
CID 18385345

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one (CID 104844863) is 2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one is Cc1c(-c2ccccc2)[nH]n(-c2ccc(Cl)cc2Cl)c1=O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one?
The InChIKey is SNYYHJDYUPTGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-10-15(11-5-3-2-4-6-11)19-20(16(10)21)14-8-7-12(17)9-13(14)18/h2-9,19H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one?
2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one has a molecular weight of 319.19 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 104844863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).