2H-1,2-benzoxazine;1H-pyrazole

C11H11N3O — CID 89454286

IUPAC2H-1,2-benzoxazine;1H-pyrazole
SMILESC1=Cc2ccccc2ON1.c1cn[nH]c1
InChIInChI=1S/C8H7NO.C3H4N2/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-5-3-1/h1-6,9H;1-3H,(H,4,5)
InChIKeyPOVUHKNBNMEWRA-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.96
Rot. Bonds

About 2H-1,2-benzoxazine;1H-pyrazole

2H-1,2-benzoxazine;1H-pyrazole (PubChem CID 89454286) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2H-1,2-benzoxazine;1H-pyrazole.

Molecular Properties

Compound Name2H-1,2-benzoxazine;1H-pyrazole
PubChem CID89454286
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2H-1,2-benzoxazine;1H-pyrazole
SMILESC1=Cc2ccccc2ON1.c1cn[nH]c1
InChIInChI=1S/C8H7NO.C3H4N2/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-5-3-1/h1-6,9H;1-3H,(H,4,5)
InChIKeyPOVUHKNBNMEWRA-UHFFFAOYSA-N
XLogP1.96
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67470092
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CID 118163764
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Frequently Asked Questions

What is the IUPAC name of 2H-1,2-benzoxazine;1H-pyrazole?
The IUPAC name of 2H-1,2-benzoxazine;1H-pyrazole (CID 89454286) is 2H-1,2-benzoxazine;1H-pyrazole.
What is the SMILES notation for 2H-1,2-benzoxazine;1H-pyrazole?
The canonical SMILES for 2H-1,2-benzoxazine;1H-pyrazole is C1=Cc2ccccc2ON1.c1cn[nH]c1.
What is the InChIKey of 2H-1,2-benzoxazine;1H-pyrazole?
The InChIKey is POVUHKNBNMEWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C3H4N2/c1-2-4-8-7(3-1)5-6-9-10-8;1-2-4-5-3-1/h1-6,9H;1-3H,(H,4,5).
What are the key properties of 2H-1,2-benzoxazine;1H-pyrazole?
2H-1,2-benzoxazine;1H-pyrazole has a molecular weight of 201.23 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,2-benzoxazine;1H-pyrazole is sourced from PubChem (CID 89454286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).