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

C10H8Cl2N2O — CID 825413

IUPAC2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(Cl)cc2Cl)C(=O)C1
InChIInChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)9-3-2-7(11)5-8(9)12/h2-3,5H,4H2,1H3
InChIKeyANOHDFYLKCWXDW-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.11
Rot. Bonds1

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

2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 825413) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
PubChem CID825413
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(Cl)cc2Cl)C(=O)C1
InChIInChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)9-3-2-7(11)5-8(9)12/h2-3,5H,4H2,1H3
InChIKeyANOHDFYLKCWXDW-UHFFFAOYSA-N
XLogP3.11
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3H-Pyrazol-3-one, 2-(4-chlorophenyl)-2,4-dihydro-5-methyl-
CID 83055
3-Methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one
CID 66656
3H-Pyrazol-3-one, 5-amino-2,4-dihydro-2-(2,4,6-trichlorophenyl)-
CID 270746
3H-Pyrazol-3-one, 2-(2-chlorophenyl)-2,4-dihydro-5-methyl-
CID 84534
4,5-Dichloro-2-(2,4-dichlorophenyl)-2,3-dihydropyridazin-3-one
CID 2774866
N-(2-chlorophenyl)-4-(2-cyclopentylidenehydrazino)-4-oxobutanamide
CID 833088
3H-Pyrazol-3-one, 2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl-
CID 83139
4,4-Dichloro-3-methyl-1-phenyl-3-pyrazolin-5-one
CID 847413
3-[(aminocarbonothioyl)hydrazono]-N-(2,4-dichlorophenyl)butanamide
CID 5332731
2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
CID 83160
3H-Pyrazol-3-one, 4-[2-(2-chlorophenyl)diazenyl]-2,4-dihydro-5-methyl-2-phenyl-
CID 110843
(4E)-2-(2,4-dichlorophenyl)-4-(4-fluorobenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 5284967

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one (CID 825413) is 2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(c2ccc(Cl)cc2Cl)C(=O)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is ANOHDFYLKCWXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)9-3-2-7(11)5-8(9)12/h2-3,5H,4H2,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one?
2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 243.09 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 825413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).