5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C22H15ClF2N2O — CID 75539242

IUPAC5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESFc1ccc(C2=NN3C(C2)c2ccccc2OC3c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C22H15ClF2N2O/c23-18-10-9-15(25)11-17(18)22-27-20(16-3-1-2-4-21(16)28-22)12-19(26-27)13-5-7-14(24)8-6-13/h1-11,20,22H,12H2
InChIKeyLBVNYRKGLOLHGR-UHFFFAOYSA-N
MW396.82 g/mol
LogP5.86
Rot. Bonds2

About 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 75539242) has the molecular formula C22H15ClF2N2O and a molecular weight of 396.82 g/mol. Its IUPAC name is 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID75539242
Molecular FormulaC22H15ClF2N2O
Molecular Weight396.82 g/mol
Exact Mass396.08
IUPAC Name5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESFc1ccc(C2=NN3C(C2)c2ccccc2OC3c2cc(F)ccc2Cl)cc1
InChIInChI=1S/C22H15ClF2N2O/c23-18-10-9-15(25)11-17(18)22-27-20(16-3-1-2-4-21(16)28-22)12-19(26-27)13-5-7-14(24)8-6-13/h1-11,20,22H,12H2
InChIKeyLBVNYRKGLOLHGR-UHFFFAOYSA-N
XLogP5.86
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.82
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,10bR)-9-chloro-5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 98769072
(5R,10bR)-5-(2-chlorophenyl)-2-(4-chlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42453314
(5S,10bS)-2-(4-fluorophenyl)-5-[2-(trifluoromethyl)phenyl]-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 8007704
5-(4-fluorophenyl)-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5102440
(5R,10bR)-2-(4-chlorophenyl)-5-(3-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92844332
(5S,10bS)-9-chloro-5-(2-chloro-5-fluorophenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124824741
9-chloro-5-(2-chloro-5-fluorophenyl)-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 75539226
2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3121731
(5R,10bR)-2-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42453321
(5S,10bS)-2-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 93233073
(5R,10bS)-5-(2,4-dichlorophenyl)-2-(4-phenylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 51982661
9-chloro-5-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3131207

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 75539242) is 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is Fc1ccc(C2=NN3C(C2)c2ccccc2OC3c2cc(F)ccc2Cl)cc1.
What is the InChIKey of 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is LBVNYRKGLOLHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF2N2O/c23-18-10-9-15(25)11-17(18)22-27-20(16-3-1-2-4-21(16)28-22)12-19(26-27)13-5-7-14(24)8-6-13/h1-11,20,22H,12H2.
What are the key properties of 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 396.82 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluorophenyl)-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 75539242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).