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

C10H8Cl2N2O — CID 5212030

IUPAC2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2c(Cl)cccc2Cl)C(=O)C1
InChIInChI=1S/C10H8Cl2N2O/c1-6-5-9(15)14(13-6)10-7(11)3-2-4-8(10)12/h2-4H,5H2,1H3
InChIKeyAIJYJGUZVLQRQQ-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.11
Rot. Bonds1

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

2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 5212030) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
PubChem CID5212030
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2c(Cl)cccc2Cl)C(=O)C1
InChIInChI=1S/C10H8Cl2N2O/c1-6-5-9(15)14(13-6)10-7(11)3-2-4-8(10)12/h2-4H,5H2,1H3
InChIKeyAIJYJGUZVLQRQQ-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one (CID 5212030) is 2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(c2c(Cl)cccc2Cl)C(=O)C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is AIJYJGUZVLQRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-6-5-9(15)14(13-6)10-7(11)3-2-4-8(10)12/h2-4H,5H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one?
2-(2,6-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-(2,6-dichlorophenyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 5212030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).