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

C10H10N2O — CID 4021

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IUPAC5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQELUYTUMUWHWMC-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.80
Rot. Bonds1

About 5-methyl-2-phenyl-4H-pyrazol-3-one

5-methyl-2-phenyl-4H-pyrazol-3-one (PubChem CID 4021) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-phenyl-4H-pyrazol-3-one
PubChem CID4021
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name5-methyl-2-phenyl-4H-pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQELUYTUMUWHWMC-UHFFFAOYSA-N
XLogP1.80
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Antipyrine
CID 2206
3H-Pyrazol-3-one, 2-(4-chlorophenyl)-2,4-dihydro-5-methyl-
CID 83055
1-Phenyl-3-carbethoxy-5-pyrazolone
CID 66636
2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-one
CID 107537
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
CID 66591
3-Methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one
CID 66656
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)-
CID 80816
3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
CID 77794
1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
CID 668302
Sbb019323
CID 714476
(4E)-5,5'-Dimethyl-2,2'-diphenyl-4,4'-bipyrazole-3,3'(2H,2'H)-dione
CID 2825117
1-Phenyl-3-carboxy-5-pyrazolone
CID 67061

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-phenyl-4H-pyrazol-3-one (CID 4021) is 5-methyl-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-phenyl-4H-pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 5-methyl-2-phenyl-4H-pyrazol-3-one?
The InChIKey is QELUYTUMUWHWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 5-methyl-2-phenyl-4H-pyrazol-3-one?
5-methyl-2-phenyl-4H-pyrazol-3-one has a molecular weight of 174.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 4021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).