2-pyrazol-1-yl-3,1-benzoxazin-4-one

C11H7N3O2 — CID 134853817

IUPAC2-pyrazol-1-yl-3,1-benzoxazin-4-one
SMILESO=c1oc(-n2cccn2)nc2ccccc12
InChIInChI=1S/C11H7N3O2/c15-10-8-4-1-2-5-9(8)13-11(16-10)14-7-3-6-12-14/h1-7H
InChIKeyPOFGPJGCGQFWOZ-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.37
Rot. Bonds1

About 2-pyrazol-1-yl-3,1-benzoxazin-4-one

2-pyrazol-1-yl-3,1-benzoxazin-4-one (PubChem CID 134853817) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-pyrazol-1-yl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-pyrazol-1-yl-3,1-benzoxazin-4-one
PubChem CID134853817
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name2-pyrazol-1-yl-3,1-benzoxazin-4-one
SMILESO=c1oc(-n2cccn2)nc2ccccc12
InChIInChI=1S/C11H7N3O2/c15-10-8-4-1-2-5-9(8)13-11(16-10)14-7-3-6-12-14/h1-7H
InChIKeyPOFGPJGCGQFWOZ-UHFFFAOYSA-N
XLogP1.37
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-pyrazol-1-yl-3,1-benzoxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-3,1-benzoxazin-4-one
CID 6451966
CID 68568728
CID 68568728
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065
6-pyrazol-1-ylcyclohepta[b]indole
CID 102047316
2-[5-(4-oxo-3,1-benzoxazin-2-yl)-1H-pyrrol-2-yl]-3,1-benzoxazin-4-one
CID 59140862
2-(methylamino)-3,1-benzoxazin-4-one
CID 10241309
2-(trideuteriomethyl)-3,1-benzoxazin-4-one
CID 71312753
N-methyl-4-pyrazol-1-ylquinazolin-2-amine
CID 80854215
2-(1-methylpyrazol-4-yl)-3,1-benzoxazin-4-one
CID 57362272
2-(naphthalen-1-ylamino)-3,1-benzoxazin-4-one
CID 132576398
2-(propylamino)-3,1-benzoxazin-4-one
CID 10397988
2-[6-(4-oxo-3,1-benzoxazin-2-yl)naphthalen-2-yl]-3,1-benzoxazin-4-one
CID 13267780

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-3,1-benzoxazin-4-one?
The IUPAC name of 2-pyrazol-1-yl-3,1-benzoxazin-4-one (CID 134853817) is 2-pyrazol-1-yl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-pyrazol-1-yl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-pyrazol-1-yl-3,1-benzoxazin-4-one is O=c1oc(-n2cccn2)nc2ccccc12.
What is the InChIKey of 2-pyrazol-1-yl-3,1-benzoxazin-4-one?
The InChIKey is POFGPJGCGQFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-10-8-4-1-2-5-9(8)13-11(16-10)14-7-3-6-12-14/h1-7H.
What are the key properties of 2-pyrazol-1-yl-3,1-benzoxazin-4-one?
2-pyrazol-1-yl-3,1-benzoxazin-4-one has a molecular weight of 213.20 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-3,1-benzoxazin-4-one is sourced from PubChem (CID 134853817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).