6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

C20H14N6O2 — CID 133064492

IUPAC6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESNc1c(-c2nc3c(cnn3-c3ccccc3)c(=O)o2)cnn1-c1ccccc1
InChIInChI=1S/C20H14N6O2/c21-17-15(11-22-25(17)13-7-3-1-4-8-13)19-24-18-16(20(27)28-19)12-23-26(18)14-9-5-2-6-10-14/h1-12H,21H2
InChIKeyVZSGLYCWCCAAOD-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.81
Rot. Bonds3

About 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 133064492) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID133064492
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESNc1c(-c2nc3c(cnn3-c3ccccc3)c(=O)o2)cnn1-c1ccccc1
InChIInChI=1S/C20H14N6O2/c21-17-15(11-22-25(17)13-7-3-1-4-8-13)19-24-18-16(20(27)28-19)12-23-26(18)14-9-5-2-6-10-14/h1-12H,21H2
InChIKeyVZSGLYCWCCAAOD-UHFFFAOYSA-N
XLogP2.81
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 133064492) is 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is Nc1c(-c2nc3c(cnn3-c3ccccc3)c(=O)o2)cnn1-c1ccccc1.
What is the InChIKey of 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is VZSGLYCWCCAAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c21-17-15(11-22-25(17)13-7-3-1-4-8-13)19-24-18-16(20(27)28-19)12-23-26(18)14-9-5-2-6-10-14/h1-12H,21H2.
What are the key properties of 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 370.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1-phenylpyrazol-4-yl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 133064492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).