(5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

C23H20N2O — CID 98769083

IUPAC(5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SMILESC[C@@]1(c2ccccc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21
InChIInChI=1S/C23H20N2O/c1-23(18-12-6-3-7-13-18)25-21(19-14-8-9-15-22(19)26-23)16-20(24-25)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3/t21-,23+/m1/s1
InChIKeyMPZLKXLCKRMZDC-GGAORHGYSA-N
MW340.43 g/mol
LogP5.10
Rot. Bonds2

About (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

(5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 98769083) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
PubChem CID98769083
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name(5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SMILESC[C@@]1(c2ccccc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21
InChIInChI=1S/C23H20N2O/c1-23(18-12-6-3-7-13-18)25-21(19-14-8-9-15-22(19)26-23)16-20(24-25)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3/t21-,23+/m1/s1
InChIKeyMPZLKXLCKRMZDC-GGAORHGYSA-N
XLogP5.10
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R,10bR)-5-methyl-5-(4-nitrophenyl)-2-(4-phenylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 25358174
(5R,10bR)-5-(4-chlorophenyl)-5-methyl-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 124815307
(5S,10bR)-2-(4-chlorophenyl)-5-methyl-5-(4-nitrophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 92643017
2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclododecane]
CID 3324617
2-(4-bromophenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 5095100
5-(4-bromophenyl)-5-methyl-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 3121942
2-(4-bromophenyl)-5-tert-butyl-5-methyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 3891006
2-phenyl-1'-propan-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 3550996
5',5'-dimethyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,3'-cyclohexene]-1'-ol
CID 5189167
(3'R,5S,10bR)-3'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
CID 98327894
1-(2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl)ethanone
CID 3762157
5-methyl-5-(4-nitrophenyl)-2-thiophen-2-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
CID 4237728

Frequently Asked Questions

What is the IUPAC name of (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (CID 98769083) is (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is C[C@@]1(c2ccccc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21.
What is the InChIKey of (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is MPZLKXLCKRMZDC-GGAORHGYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-23(18-12-6-3-7-13-18)25-21(19-14-8-9-15-22(19)26-23)16-20(24-25)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3/t21-,23+/m1/s1.
What are the key properties of (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
(5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 340.43 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10bR)-5-methyl-2,5-diphenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 98769083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).