2-benzoyl-4-methyl-1H-pyrazol-5-one

C11H10N2O2 — CID 91619803

IUPAC2-benzoyl-4-methyl-1H-pyrazol-5-one
SMILESCc1cn(C(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H10N2O2/c1-8-7-13(12-10(8)14)11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14)
InChIKeyJUQGNUUCUIXQRT-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.17
Rot. Bonds1

About 2-benzoyl-4-methyl-1H-pyrazol-5-one

2-benzoyl-4-methyl-1H-pyrazol-5-one (PubChem CID 91619803) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-benzoyl-4-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-benzoyl-4-methyl-1H-pyrazol-5-one
PubChem CID91619803
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-benzoyl-4-methyl-1H-pyrazol-5-one
SMILESCc1cn(C(=O)c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H10N2O2/c1-8-7-13(12-10(8)14)11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14)
InChIKeyJUQGNUUCUIXQRT-UHFFFAOYSA-N
XLogP1.17
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-oxo-2-(pyridine-4-carbonyl)-1H-pyrazol-4-yl]benzamide
CID 10804705
(3-hydroxy-2,2-dimethylaziridin-1-yl)-phenylmethanone
CID 151500520
N-[5-oxo-2-(thiophene-2-carbonyl)-1H-pyrazol-4-yl]benzamide
CID 10519242
3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione
CID 11506886
3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione
CID 10755473
9-benzoyl-6-methyl-4,7,8,10-tetrahydro-1H-pyrido[3,4-f]quinoxaline-2,3-dione
CID 59943651
(3-ethylpyrrol-1-yl)-phenylmethanone
CID 15892540
benzoic acid;methanamine
CID 158244769
1-benzoyl-5-ethenylpyrimidine-2,4-dione
CID 154453677
(3-amino-4-methylindol-1-yl)-phenylmethanone
CID 101141428
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
1-hydroxy-5-methylpyrimidine-2,4-dione;phenol
CID 141292603

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-methyl-1H-pyrazol-5-one?
The IUPAC name of 2-benzoyl-4-methyl-1H-pyrazol-5-one (CID 91619803) is 2-benzoyl-4-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-benzoyl-4-methyl-1H-pyrazol-5-one?
The canonical SMILES for 2-benzoyl-4-methyl-1H-pyrazol-5-one is Cc1cn(C(=O)c2ccccc2)[nH]c1=O.
What is the InChIKey of 2-benzoyl-4-methyl-1H-pyrazol-5-one?
The InChIKey is JUQGNUUCUIXQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-7-13(12-10(8)14)11(15)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14).
What are the key properties of 2-benzoyl-4-methyl-1H-pyrazol-5-one?
2-benzoyl-4-methyl-1H-pyrazol-5-one has a molecular weight of 202.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 91619803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).