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

C12H14N2O — CID 1227222

IUPAC2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(C)cc2C)C(=O)C1
InChIInChI=1S/C12H14N2O/c1-8-4-5-11(9(2)6-8)14-12(15)7-10(3)13-14/h4-6H,7H2,1-3H3
InChIKeyAEISAVPOAWUOEY-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.42
Rot. Bonds1

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

2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one (PubChem CID 1227222) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
PubChem CID1227222
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccc(C)cc2C)C(=O)C1
InChIInChI=1S/C12H14N2O/c1-8-4-5-11(9(2)6-8)14-12(15)7-10(3)13-14/h4-6H,7H2,1-3H3
InChIKeyAEISAVPOAWUOEY-UHFFFAOYSA-N
XLogP2.42
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one (CID 1227222) is 2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one is CC1=NN(c2ccc(C)cc2C)C(=O)C1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one?
The InChIKey is AEISAVPOAWUOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-4-5-11(9(2)6-8)14-12(15)7-10(3)13-14/h4-6H,7H2,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one?
2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one has a molecular weight of 202.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-5-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 1227222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).