5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one

C10H7Cl3N2O — CID 2825130

IUPAC5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1
InChIInChI=1S/C10H7Cl3N2O/c1-5-2-9(16)15(14-5)10-7(12)3-6(11)4-8(10)13/h3-4H,2H2,1H3
InChIKeyMRQNFRMHWBTRGX-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.76
Rot. Bonds1

About 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one

5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one (PubChem CID 2825130) has the molecular formula C10H7Cl3N2O and a molecular weight of 277.54 g/mol. Its IUPAC name is 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
PubChem CID2825130
Molecular FormulaC10H7Cl3N2O
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one
SMILESCC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1
InChIInChI=1S/C10H7Cl3N2O/c1-5-2-9(16)15(14-5)10-7(12)3-6(11)4-8(10)13/h3-4H,2H2,1H3
InChIKeyMRQNFRMHWBTRGX-UHFFFAOYSA-N
XLogP3.76
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.76
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
2,2-dimethyl-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]propanamide
CID 1070678
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
2-(3,4-dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
CID 83160
2-(2,4-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
CID 825413
1-(2,6-Dichlorophenyl)-3-methyl-1h-pyrazol-5(4h)-one
CID 5212030
2-(2,4-dichlorophenyl)-5-[(Z)-heptadec-8-enyl]-4H-pyrazol-3-one
CID 44268060
2-(3-Chloro-4-fluoro-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one
CID 806581

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one (CID 2825130) is 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one is CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1.
What is the InChIKey of 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one?
The InChIKey is MRQNFRMHWBTRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2O/c1-5-2-9(16)15(14-5)10-7(12)3-6(11)4-8(10)13/h3-4H,2H2,1H3.
What are the key properties of 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one?
5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one has a molecular weight of 277.54 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,4,6-trichlorophenyl)-4H-pyrazol-3-one is sourced from PubChem (CID 2825130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).