4-benzyl-3-methyl-1,4-dihydropyrazol-5-one

C11H12N2O — CID 2725675

IUPAC4-benzyl-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1Cc1ccccc1
InChIInChI=1S/C11H12N2O/c1-8-10(11(14)13-12-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
InChIKeyGHYQEUSBJOLBDF-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.35
Rot. Bonds2

About 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one

4-benzyl-3-methyl-1,4-dihydropyrazol-5-one (PubChem CID 2725675) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-benzyl-3-methyl-1,4-dihydropyrazol-5-one
PubChem CID2725675
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-benzyl-3-methyl-1,4-dihydropyrazol-5-one
SMILESCC1=NNC(=O)C1Cc1ccccc1
InChIInChI=1S/C11H12N2O/c1-8-10(11(14)13-12-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)
InChIKeyGHYQEUSBJOLBDF-UHFFFAOYSA-N
XLogP1.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 242935
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3-methyl-5-[(4-methylphenyl)methyl]-1H-pyridazin-6-one
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3-Phenyl-5-pyrazolone
CID 78577
CID 2729945
CID 2729945
6-(4-Pentyl-phenyl)-4,5-dihydro-2H-pyridazin-3-one
CID 2861872
N-(1,3-diphenylpropan-2-ylideneamino)cyclopropanecarboxamide
CID 4175602
5-methyl-4-(2-methylbenzyl)-2,4-dihydro-3H-pyrazol-3-one
CID 5151511
N'-(3-cyclohexen-1-ylmethylene)-3-phenylpropanohydrazide
CID 5722040
N'-(1-phenylbutylidene)cyclopropanecarbohydrazide
CID 6384615
2-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-YL)-N'-[(1E,2E)-3-phenyl-2-propen-1-ylidene]acetohydrazide
CID 9593792
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one (CID 2725675) is 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one is CC1=NNC(=O)C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one?
The InChIKey is GHYQEUSBJOLBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-10(11(14)13-12-8)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14).
What are the key properties of 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one?
4-benzyl-3-methyl-1,4-dihydropyrazol-5-one has a molecular weight of 188.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 2725675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).