5-phenyliminopyrazol-3-one

C9H7N3O — CID 56613597

IUPAC5-phenyliminopyrazol-3-one
SMILESO=C1C/C(=N/c2ccccc2)N=N1
InChIInChI=1S/C9H7N3O/c13-9-6-8(11-12-9)10-7-4-2-1-3-5-7/h1-5H,6H2/b10-8-
InChIKeyUXMLLGCWOKPVOY-NTMALXAHSA-N
MW173.18 g/mol
LogP2.10
Rot. Bonds1

About 5-phenyliminopyrazol-3-one

5-phenyliminopyrazol-3-one (PubChem CID 56613597) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is 5-phenyliminopyrazol-3-one.

Molecular Properties

Compound Name5-phenyliminopyrazol-3-one
PubChem CID56613597
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC Name5-phenyliminopyrazol-3-one
SMILESO=C1C/C(=N/c2ccccc2)N=N1
InChIInChI=1S/C9H7N3O/c13-9-6-8(11-12-9)10-7-4-2-1-3-5-7/h1-5H,6H2/b10-8-
InChIKeyUXMLLGCWOKPVOY-NTMALXAHSA-N
XLogP2.10
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-phenyliminopyrazol-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 5-phenyliminopyrazol-3-one?
The IUPAC name of 5-phenyliminopyrazol-3-one (CID 56613597) is 5-phenyliminopyrazol-3-one.
What is the SMILES notation for 5-phenyliminopyrazol-3-one?
The canonical SMILES for 5-phenyliminopyrazol-3-one is O=C1C/C(=N/c2ccccc2)N=N1.
What is the InChIKey of 5-phenyliminopyrazol-3-one?
The InChIKey is UXMLLGCWOKPVOY-NTMALXAHSA-N. The full InChI is InChI=1S/C9H7N3O/c13-9-6-8(11-12-9)10-7-4-2-1-3-5-7/h1-5H,6H2/b10-8-.
What are the key properties of 5-phenyliminopyrazol-3-one?
5-phenyliminopyrazol-3-one has a molecular weight of 173.18 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyliminopyrazol-3-one is sourced from PubChem (CID 56613597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).