5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one

C11H13N3O — CID 19013253

IUPAC5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one
SMILESCN(C)C1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C11H13N3O/c1-13(2)10-8-11(15)14(12-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyZFFCYENJNDAAQH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.30
Rot. Bonds1

About 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one

5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one (PubChem CID 19013253) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one
PubChem CID19013253
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one
SMILESCN(C)C1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C11H13N3O/c1-13(2)10-8-11(15)14(12-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyZFFCYENJNDAAQH-UHFFFAOYSA-N
XLogP1.30
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one?
The IUPAC name of 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one (CID 19013253) is 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one is CN(C)C1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one?
The InChIKey is ZFFCYENJNDAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13(2)10-8-11(15)14(12-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one?
5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one has a molecular weight of 203.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-phenyl-4H-pyrazol-3-one is sourced from PubChem (CID 19013253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).