4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one

C11H13N3O2 — CID 71550273

IUPAC4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1(C)NO
InChIInChI=1S/C11H13N3O2/c1-8-11(2,13-16)10(15)14(12-8)9-6-4-3-5-7-9/h3-7,13,16H,1-2H3
InChIKeyPZVCZGAFUFBRPQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.15
Rot. Bonds2

About 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one

4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one (PubChem CID 71550273) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one.

Molecular Properties

Compound Name4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one
PubChem CID71550273
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)C1(C)NO
InChIInChI=1S/C11H13N3O2/c1-8-11(2,13-16)10(15)14(12-8)9-6-4-3-5-7-9/h3-7,13,16H,1-2H3
InChIKeyPZVCZGAFUFBRPQ-UHFFFAOYSA-N
XLogP1.15
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(hydroxyamino)-4,5-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one?
The IUPAC name of 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one (CID 71550273) is 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one.
What is the SMILES notation for 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one?
The canonical SMILES for 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one is CC1=NN(c2ccccc2)C(=O)C1(C)NO.
What is the InChIKey of 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one?
The InChIKey is PZVCZGAFUFBRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-11(2,13-16)10(15)14(12-8)9-6-4-3-5-7-9/h3-7,13,16H,1-2H3.
What are the key properties of 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one?
4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one has a molecular weight of 219.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-4,5-dimethyl-2-phenylpyrazol-3-one is sourced from PubChem (CID 71550273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).