9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

C19H19BrN2O2 — CID 3121899

IUPAC9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC3(C)C)cc1
InChIInChI=1S/C19H19BrN2O2/c1-19(2)22-17(15-10-13(20)6-9-18(15)24-19)11-16(21-22)12-4-7-14(23-3)8-5-12/h4-10,17H,11H2,1-3H3
InChIKeyXYGAOCYWCCHIOS-UHFFFAOYSA-N
MW387.28 g/mol
LogP4.74
Rot. Bonds2

About 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3121899) has the molecular formula C19H19BrN2O2 and a molecular weight of 387.28 g/mol. Its IUPAC name is 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
PubChem CID3121899
Molecular FormulaC19H19BrN2O2
Molecular Weight387.28 g/mol
Exact Mass386.06
IUPAC Name9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC3(C)C)cc1
InChIInChI=1S/C19H19BrN2O2/c1-19(2)22-17(15-10-13(20)6-9-18(15)24-19)11-16(21-22)12-4-7-14(23-3)8-5-12/h4-10,17H,11H2,1-3H3
InChIKeyXYGAOCYWCCHIOS-UHFFFAOYSA-N
XLogP4.74
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (CID 3121899) is 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is COc1ccc(C2=NN3C(C2)c2cc(Br)ccc2OC3(C)C)cc1.
What is the InChIKey of 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is XYGAOCYWCCHIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O2/c1-19(2)22-17(15-10-13(20)6-9-18(15)24-19)11-16(21-22)12-4-7-14(23-3)8-5-12/h4-10,17H,11H2,1-3H3.
What are the key properties of 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 387.28 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3121899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).