5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one

C11H13N3O3 — CID 15413209

IUPAC5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one
SMILESCN(C)C1=NN(c2ccccc2)C(=O)C1(O)O
InChIInChI=1S/C11H13N3O3/c1-13(2)9-11(16,17)10(15)14(12-9)8-6-4-3-5-7-8/h3-7,16-17H,1-2H3
InChIKeySCMFOIHXERZTAH-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.41
Rot. Bonds1

About 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one

5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one (PubChem CID 15413209) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one
PubChem CID15413209
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one
SMILESCN(C)C1=NN(c2ccccc2)C(=O)C1(O)O
InChIInChI=1S/C11H13N3O3/c1-13(2)9-11(16,17)10(15)14(12-9)8-6-4-3-5-7-8/h3-7,16-17H,1-2H3
InChIKeySCMFOIHXERZTAH-UHFFFAOYSA-N
XLogP-0.41
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,4-dihydroxy-5-oxo-1-phenylpyrazol-3-yl)acetamide
CID 15413208
4-(3,4-dimethyl-5-oxo-1-phenylpyrazol-4-yl)-4,5-dimethyl-2-phenylpyrazol-3-one
CID 43834929
4,4-dichloro-5-methyl-2-phenylpyrazol-3-one
CID 847413
(5S,6R)-1,7-dimethyl-3,9-diphenyl-11-oxa-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,7-diene-4,10-dione
CID 27234921
4-hydroxy-5-methyl-4-phenacyl-2-phenylpyrazol-3-one
CID 122224342
N-(4,4-dibromo-5-oxo-1-phenylpyrazol-3-yl)acetamide
CID 20788347
(5S,6S)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234903
(5R,6R)-1,10-dimethyl-3,8,11-triphenyl-2,3,8,9-tetrazadispiro[4.0.46.15]undeca-1,9-diene-4,7-dione
CID 27234906
5-tert-butyl-4-(hydroxyamino)-4-methyl-2-phenylpyrazol-3-one
CID 118538517
(4Z)-4-[1-(dimethylamino)ethylidene]-5-methyl-2-phenylpyrazol-3-one
CID 177488146
4-bromo-5-(2-fluorophenyl)-4-methyl-2-phenylpyrazol-3-one
CID 118537920
4-bromo-4-methyl-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 118538366

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one?
The IUPAC name of 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one (CID 15413209) is 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one.
What is the SMILES notation for 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one?
The canonical SMILES for 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one is CN(C)C1=NN(c2ccccc2)C(=O)C1(O)O.
What is the InChIKey of 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one?
The InChIKey is SCMFOIHXERZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-13(2)9-11(16,17)10(15)14(12-9)8-6-4-3-5-7-8/h3-7,16-17H,1-2H3.
What are the key properties of 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one?
5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one has a molecular weight of 235.24 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4,4-dihydroxy-2-phenylpyrazol-3-one is sourced from PubChem (CID 15413209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).