3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine

C15H8F9N3O — CID 2324623

IUPAC3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine
SMILESCc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(C(F)(F)F)=N2
InChIInChI=1S/C15H8F9N3O/c1-7-9-10(27(26-7)8-5-3-2-4-6-8)25-11(13(16,17)18)28-12(9,14(19,20)21)15(22,23)24/h2-6H,1H3
InChIKeyVACQTLWEBRNCOZ-UHFFFAOYSA-N
MW417.23 g/mol
LogP5.12
Rot. Bonds1

About 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine

3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine (PubChem CID 2324623) has the molecular formula C15H8F9N3O and a molecular weight of 417.23 g/mol. Its IUPAC name is 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine.

Molecular Properties

Compound Name3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine
PubChem CID2324623
Molecular FormulaC15H8F9N3O
Molecular Weight417.23 g/mol
Exact Mass417.05
IUPAC Name3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine
SMILESCc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(C(F)(F)F)=N2
InChIInChI=1S/C15H8F9N3O/c1-7-9-10(27(26-7)8-5-3-2-4-6-8)25-11(13(16,17)18)28-12(9,14(19,20)21)15(22,23)24/h2-6H,1H3
InChIKeyVACQTLWEBRNCOZ-UHFFFAOYSA-N
XLogP5.12
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.23
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine 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

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)cyclopropan-1-amine
CID 105484824
(1R,8R)-1,3,8,10-tetramethyl-5,12-diphenyl-7,14-dioxa-4,5,11,12-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2(6),3,9(13),10-tetraene
CID 1120801
6'-(2-fluorophenyl)-3',5'-dimethyl-1'-phenylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]
CID 2465684
4-methanidyl-3,5-dimethyl-1-phenylpyrazole;yttrium
CID 176877441
(3,5-dimethyl-1-phenylpyrazol-4-yl)-trimethylsilane
CID 130535844
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88773612
3'-methyl-1',5',5'-triphenylspiro[1,3-dioxolane-2,4'-pyrazolo[5,4-b]pyridine]
CID 53356497
5-fluoro-3-methyl-1-phenylpyrazole-4-carboxamide
CID 121222038
2-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1,1,1-trifluoropropan-2-ol
CID 4287677
3-methyl-1-phenyl-4-(trifluoromethylsulfinyl)pyrazol-5-amine
CID 10149447
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridazin-3-amine
CID 133432667
4,5-bis[3,5-bis(trifluoromethyl)phenyl]-3-methyl-1-phenylpyrazole
CID 102137364

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine?
The IUPAC name of 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine (CID 2324623) is 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine.
What is the SMILES notation for 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine?
The canonical SMILES for 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine is Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(C(F)(F)F)=N2.
What is the InChIKey of 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine?
The InChIKey is VACQTLWEBRNCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F9N3O/c1-7-9-10(27(26-7)8-5-3-2-4-6-8)25-11(13(16,17)18)28-12(9,14(19,20)21)15(22,23)24/h2-6H,1H3.
What are the key properties of 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine?
3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine has a molecular weight of 417.23 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-4,4,6-tris(trifluoromethyl)pyrazolo[5,4-d][1,3]oxazine is sourced from PubChem (CID 2324623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).