5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one

C9H6Cl2N2O — CID 723771

IUPAC5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccc(Cl)cc2Cl)[nH][nH]1
InChIInChI=1S/C9H6Cl2N2O/c10-5-1-2-6(7(11)3-5)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
InChIKeyIMVAWTBTBLAGIP-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.68
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one

5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one (PubChem CID 723771) has the molecular formula C9H6Cl2N2O and a molecular weight of 229.07 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one
PubChem CID723771
Molecular FormulaC9H6Cl2N2O
Molecular Weight229.07 g/mol
Exact Mass227.99
IUPAC Name5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one
SMILESO=c1cc(-c2ccc(Cl)cc2Cl)[nH][nH]1
InChIInChI=1S/C9H6Cl2N2O/c10-5-1-2-6(7(11)3-5)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14)
InChIKeyIMVAWTBTBLAGIP-UHFFFAOYSA-N
XLogP2.68
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one (CID 723771) is 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one is O=c1cc(-c2ccc(Cl)cc2Cl)[nH][nH]1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one?
The InChIKey is IMVAWTBTBLAGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O/c10-5-1-2-6(7(11)3-5)8-4-9(14)13-12-8/h1-4H,(H2,12,13,14).
What are the key properties of 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one?
5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one has a molecular weight of 229.07 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 723771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).