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

C12H14N2O — CID 159947269

IUPAC2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one
SMILESCc1ccc(C)c(-n2[nH]cc(C)c2=O)c1
InChIInChI=1S/C12H14N2O/c1-8-4-5-9(2)11(6-8)14-12(15)10(3)7-13-14/h4-7,13H,1-3H3
InChIKeyNLRZIZIBZVHQDM-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.09
Rot. Bonds1

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

2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one (PubChem CID 159947269) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one
PubChem CID159947269
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one
SMILESCc1ccc(C)c(-n2[nH]cc(C)c2=O)c1
InChIInChI=1S/C12H14N2O/c1-8-4-5-9(2)11(6-8)14-12(15)10(3)7-13-14/h4-7,13H,1-3H3
InChIKeyNLRZIZIBZVHQDM-UHFFFAOYSA-N
XLogP2.09
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one (CID 159947269) is 2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one is Cc1ccc(C)c(-n2[nH]cc(C)c2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one?
The InChIKey is NLRZIZIBZVHQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-4-5-9(2)11(6-8)14-12(15)10(3)7-13-14/h4-7,13H,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one?
2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one has a molecular weight of 202.26 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 159947269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).