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

C9H6Cl2N2O — CID 112656212

IUPAC2-(2,4-dichlorophenyl)-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2N2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12-13/h1-5,12H
InChIKeyUTJGPVWXQPXEOX-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.47
Rot. Bonds1

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

2-(2,4-dichlorophenyl)-1H-pyrazol-3-one (PubChem CID 112656212) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1H-pyrazol-3-one
PubChem CID112656212
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name2-(2,4-dichlorophenyl)-1H-pyrazol-3-one
SMILESO=c1cc[nH]n1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H6Cl2N2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12-13/h1-5,12H
InChIKeyUTJGPVWXQPXEOX-UHFFFAOYSA-N
XLogP2.47
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844863
2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 134938574
1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole
CID 4771829
2-(2,4-dichlorophenyl)-5-(difluoromethyl)-1H-pyrazole-3-thione
CID 62892606
2-(2,4-dichlorophenyl)-4-methylphthalazin-1-one
CID 745846
2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazinane-3,5-dione
CID 171984926
2-[(2,4-dichlorophenyl)methyl]-5-methyl-1H-pyrazol-3-one
CID 170923995
1-(2,4-dichlorophenyl)-3-phenylpyrazol-5-amine
CID 43381347
6-amino-4-(2,4-dichlorophenyl)-5-sulfanyl-1,2-dihydro-1,2,4-triazin-3-one
CID 676576
1-(2,4-dichlorophenyl)-4H-triazol-5-one
CID 141266965
1-(2,4-dichlorophenyl)-3,3-dimethylazetidin-2-one
CID 1486799
2-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-one
CID 12898506

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-1H-pyrazol-3-one (CID 112656212) is 2-(2,4-dichlorophenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1H-pyrazol-3-one is O=c1cc[nH]n1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1H-pyrazol-3-one?
The InChIKey is UTJGPVWXQPXEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c10-6-1-2-8(7(11)5-6)13-9(14)3-4-12-13/h1-5,12H.
What are the key properties of 2-(2,4-dichlorophenyl)-1H-pyrazol-3-one?
2-(2,4-dichlorophenyl)-1H-pyrazol-3-one has a molecular weight of 229.07 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 112656212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).