6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

C17H10N4O4 — CID 3071660

IUPAC6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2[N+](=O)[O-])nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10N4O4/c22-17-13-10-18-20(11-6-2-1-3-7-11)15(13)19-16(25-17)12-8-4-5-9-14(12)21(23)24/h1-10H
InChIKeyCFTCCMGUTXQVJO-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.95
Rot. Bonds3

About 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 3071660) has the molecular formula C17H10N4O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID3071660
Molecular FormulaC17H10N4O4
Molecular Weight334.29 g/mol
Exact Mass334.07
IUPAC Name6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESO=c1oc(-c2ccccc2[N+](=O)[O-])nc2c1cnn2-c1ccccc1
InChIInChI=1S/C17H10N4O4/c22-17-13-10-18-20(11-6-2-1-3-7-11)15(13)19-16(25-17)12-8-4-5-9-14(12)21(23)24/h1-10H
InChIKeyCFTCCMGUTXQVJO-UHFFFAOYSA-N
XLogP2.95
TPSA104.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1,6-diphenyl-
CID 692942
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-phenyl-
CID 690939
6-(4-Methylphenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4-one
CID 722801
6-(2-fluorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 692962
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 1-methyl-6-(2-nitrophenyl)-
CID 3071659
benzyl 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetate
CID 646000
6-(3-chlorophenyl)-1-phenylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
CID 690934
6-(3-Fluorophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
CID 3266465
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-methyl-
CID 3087660
Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-aminophenyl)-1-phenyl-
CID 3087662
3-[(E)-(4-nitrophenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 9583818
3-[(Z)-(4-nitrophenyl)methylideneamino]-7-phenylpyrazolo[5,4-d]triazin-4-one
CID 5714663

Frequently Asked Questions

What is the IUPAC name of 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 3071660) is 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is O=c1oc(-c2ccccc2[N+](=O)[O-])nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is CFTCCMGUTXQVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O4/c22-17-13-10-18-20(11-6-2-1-3-7-11)15(13)19-16(25-17)12-8-4-5-9-14(12)21(23)24/h1-10H.
What are the key properties of 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 334.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-nitrophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 3071660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).