2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde

C13H12N2O2 — CID 155735392

IUPAC2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nn2c1COCC2
InChIInChI=1S/C13H12N2O2/c16-8-11-12-9-17-7-6-15(12)14-13(11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2
InChIKeyODBFCHVJXSHUPG-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.89
Rot. Bonds2

About 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde

2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde (PubChem CID 155735392) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde
PubChem CID155735392
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)nn2c1COCC2
InChIInChI=1S/C13H12N2O2/c16-8-11-12-9-17-7-6-15(12)14-13(11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2
InChIKeyODBFCHVJXSHUPG-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde 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 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde?
The IUPAC name of 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde (CID 155735392) is 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde.
What is the SMILES notation for 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde?
The canonical SMILES for 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde is O=Cc1c(-c2ccccc2)nn2c1COCC2.
What is the InChIKey of 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde?
The InChIKey is ODBFCHVJXSHUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-8-11-12-9-17-7-6-15(12)14-13(11)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2.
What are the key properties of 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde?
2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-3-carbaldehyde is sourced from PubChem (CID 155735392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).