5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one

C11H12N2O — CID 22908466

IUPAC5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2C)[nH]1
InChIInChI=1S/C11H12N2O/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12-13/h3-7,12H,1-2H3
InChIKeyAFALENQRVNCCRP-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.78
Rot. Bonds1

About 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one

5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one (PubChem CID 22908466) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
PubChem CID22908466
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one
SMILESCc1cc(=O)n(-c2ccccc2C)[nH]1
InChIInChI=1S/C11H12N2O/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12-13/h3-7,12H,1-2H3
InChIKeyAFALENQRVNCCRP-UHFFFAOYSA-N
XLogP1.78
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one (CID 22908466) is 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one is Cc1cc(=O)n(-c2ccccc2C)[nH]1.
What is the InChIKey of 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one?
The InChIKey is AFALENQRVNCCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12-13/h3-7,12H,1-2H3.
What are the key properties of 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one?
5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 188.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 22908466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).