5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde

C11H8N2O2 — CID 135334437

IUPAC5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde
SMILESO=Cc1cnn2c1-c1ccccc1OC2
InChIInChI=1S/C11H8N2O2/c14-6-8-5-12-13-7-15-10-4-2-1-3-9(10)11(8)13/h1-6H,7H2
InChIKeyRBDSNEGHNPNINJ-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.71
Rot. Bonds1

About 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde

5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde (PubChem CID 135334437) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde.

Molecular Properties

Compound Name5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde
PubChem CID135334437
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde
SMILESO=Cc1cnn2c1-c1ccccc1OC2
InChIInChI=1S/C11H8N2O2/c14-6-8-5-12-13-7-15-10-4-2-1-3-9(10)11(8)13/h1-6H,7H2
InChIKeyRBDSNEGHNPNINJ-UHFFFAOYSA-N
XLogP1.71
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde?
The IUPAC name of 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde (CID 135334437) is 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde.
What is the SMILES notation for 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde?
The canonical SMILES for 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde is O=Cc1cnn2c1-c1ccccc1OC2.
What is the InChIKey of 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde?
The InChIKey is RBDSNEGHNPNINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-6-8-5-12-13-7-15-10-4-2-1-3-9(10)11(8)13/h1-6H,7H2.
What are the key properties of 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde?
5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde has a molecular weight of 200.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrazolo[1,5-c][1,3]benzoxazine-1-carbaldehyde is sourced from PubChem (CID 135334437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).