4-methyl-2-phenyl-1H-pyrazol-3-one

C10H10N2O — CID 12799760

IUPAC4-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1c[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N2O/c1-8-7-11-12(10(8)13)9-5-3-2-4-6-9/h2-7,11H,1H3
InChIKeyJVLQKXFRHFXSDJ-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.47
Rot. Bonds1

About 4-methyl-2-phenyl-1H-pyrazol-3-one

4-methyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 12799760) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-methyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-1H-pyrazol-3-one
PubChem CID12799760
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-methyl-2-phenyl-1H-pyrazol-3-one
SMILESCc1c[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C10H10N2O/c1-8-7-11-12(10(8)13)9-5-3-2-4-6-9/h2-7,11H,1H3
InChIKeyJVLQKXFRHFXSDJ-UHFFFAOYSA-N
XLogP1.47
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-phenyl-1H-pyridazine-3,4-dione
CID 5200261
2-phenyl-4-prop-2-enyl-1H-pyrazol-3-one
CID 91335498
4-(2-methylpropanoyl)-2-phenyl-1H-pyrazol-3-one
CID 174459368
N-(3,4-dioxo-2-phenyl-1H-pyridazin-5-yl)acetamide
CID 91733255
2-(2,5-dimethylphenyl)-4-methyl-1H-pyrazol-3-one
CID 159947269
2-(3,6-dimethyl-2-pyridinyl)-4-methyl-1H-pyrazol-3-one
CID 161268847
4,5-dimethyl-2-phenyl-1H-pyridazine-3,6-dione
CID 59448125
5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
5-methyl-4-[1-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)ethyl]-2-phenyl-1H-pyrazol-3-one
CID 147475036
ethyl 5-methyl-3-oxo-2-phenyl-1H-pyrazole-4-carbodithioate
CID 2738114
4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 115068748
methyl 4-[(3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzoate
CID 135790030

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-methyl-2-phenyl-1H-pyrazol-3-one (CID 12799760) is 4-methyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-methyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-methyl-2-phenyl-1H-pyrazol-3-one is Cc1c[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 4-methyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is JVLQKXFRHFXSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-7-11-12(10(8)13)9-5-3-2-4-6-9/h2-7,11H,1H3.
What are the key properties of 4-methyl-2-phenyl-1H-pyrazol-3-one?
4-methyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 174.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 12799760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).