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'}

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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).