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

C10H8Cl2N2O — CID 2801248

IUPAC2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)7-2-3-8(11)9(12)5-7/h2-5,13H,1H3
InChIKeyVCVFXBNCQAJJCV-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.78
Rot. Bonds1

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

2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 2801248) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
PubChem CID2801248
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)7-2-3-8(11)9(12)5-7/h2-5,13H,1H3
InChIKeyVCVFXBNCQAJJCV-UHFFFAOYSA-N
XLogP2.78
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one (CID 2801248) is 2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[nH]1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is VCVFXBNCQAJJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)7-2-3-8(11)9(12)5-7/h2-5,13H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one?
2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 243.09 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 2801248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).