2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine

C12H12N2O — CID 67987826

IUPAC2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCCc1cc2n(n1)COc1ccccc1-2
InChIInChI=1S/C12H12N2O/c1-2-9-7-11-10-5-3-4-6-12(10)15-8-14(11)13-9/h3-7H,2,8H2,1H3
InChIKeyJBIJZIGUIKSIRV-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.46
Rot. Bonds1

About 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine

2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 67987826) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID67987826
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCCc1cc2n(n1)COc1ccccc1-2
InChIInChI=1S/C12H12N2O/c1-2-9-7-11-10-5-3-4-6-12(10)15-8-14(11)13-9/h3-7H,2,8H2,1H3
InChIKeyJBIJZIGUIKSIRV-UHFFFAOYSA-N
XLogP2.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine (CID 67987826) is 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine is CCc1cc2n(n1)COc1ccccc1-2.
What is the InChIKey of 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is JBIJZIGUIKSIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-2-9-7-11-10-5-3-4-6-12(10)15-8-14(11)13-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine?
2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 200.24 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 67987826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).