3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one

C12H14N2O — CID 5151511

IUPAC3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1Cc1ccccc1C
InChIInChI=1S/C12H14N2O/c1-8-5-3-4-6-10(8)7-11-9(2)13-14-12(11)15/h3-6,11H,7H2,1-2H3,(H,14,15)
InChIKeyDSJFMJFUMJPSEQ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.66
Rot. Bonds2

About 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one

3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one (PubChem CID 5151511) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one
PubChem CID5151511
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1Cc1ccccc1C
InChIInChI=1S/C12H14N2O/c1-8-5-3-4-6-10(8)7-11-9(2)13-14-12(11)15/h3-6,11H,7H2,1-2H3,(H,14,15)
InChIKeyDSJFMJFUMJPSEQ-UHFFFAOYSA-N
XLogP1.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 242935
4-benzyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
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5,5-Dimethyl-2,6-dihydropyrazolo[4,3-d][3]benzazepin-3-one
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3-methyl-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
CID 2727495
3-Phenyl-5-pyrazolone
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6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
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N'-[(1E)-1-(3,4-dimethylphenyl)ethylidene]cyclopropanecarbohydrazide
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N'-(3-cyclohexen-1-ylmethylene)-3-phenylpropanohydrazide
CID 5722040
N'-(1-phenylbutylidene)cyclopropanecarbohydrazide
CID 6384615
N'-(1-methyl-3-phenylpropylidene)bicyclo[4.1.0]heptane-7-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one (CID 5151511) is 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one is CC1=NNC(=O)C1Cc1ccccc1C.
What is the InChIKey of 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one?
The InChIKey is DSJFMJFUMJPSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-5-3-4-6-10(8)7-11-9(2)13-14-12(11)15/h3-6,11H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one?
3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one has a molecular weight of 202.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methylphenyl)methyl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 5151511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).