(5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C18H17ClN2O2 — CID 7274223

IUPAC(5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1cccc2c1O[C@H](C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21
InChIInChI=1S/C18H17ClN2O2/c1-11-21-16(14-4-3-5-17(22-2)18(14)23-11)10-15(20-21)12-6-8-13(19)9-7-12/h3-9,11,16H,10H2,1-2H3/t11-,16+/m1/s1
InChIKeyOVYZWXVFOUTKAI-BZNIZROVSA-N
MW328.80 g/mol
LogP4.24
Rot. Bonds2

About (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

(5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 7274223) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID7274223
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1cccc2c1O[C@H](C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21
InChIInChI=1S/C18H17ClN2O2/c1-11-21-16(14-4-3-5-17(22-2)18(14)23-11)10-15(20-21)12-6-8-13(19)9-7-12/h3-9,11,16H,10H2,1-2H3/t11-,16+/m1/s1
InChIKeyOVYZWXVFOUTKAI-BZNIZROVSA-N
XLogP4.24
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[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

Related Compounds

2-(4-chlorophenyl)-7-methoxy-5-(2-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4091201
(5S,10bR)-5-(4-chlorophenyl)-7-methoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7167365
2-(4-chlorophenyl)-5-(2,4-dimethoxyphenyl)-7-methoxy-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3435238
(5S,10bR)-2-(4-chlorophenyl)-7-methoxy-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 92957759
2-(4-chlorophenyl)-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3121715
(5S,10bR)-5-(3-chlorophenyl)-2-(4-fluorophenyl)-7-methoxy-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 51405955
(5R,10bR)-2-(4-chlorophenyl)-7-methoxy-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40838700
(5S,10bS)-7-methoxy-2,5-diphenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7167345
(5R,10bS)-5-ethyl-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7722642
7-methoxy-2-(4-methoxyphenyl)-5-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3821896
(5S,10bS)-5-(2,6-difluorophenyl)-7-methoxy-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7459043
5-(3,4-difluorophenyl)-7-methoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 6616962

Frequently Asked Questions

What is the IUPAC name of (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 7274223) is (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is COc1cccc2c1O[C@H](C)N1N=C(c3ccc(Cl)cc3)C[C@@H]21.
What is the InChIKey of (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is OVYZWXVFOUTKAI-BZNIZROVSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11-21-16(14-4-3-5-17(22-2)18(14)23-11)10-15(20-21)12-6-8-13(19)9-7-12/h3-9,11,16H,10H2,1-2H3/t11-,16+/m1/s1.
What are the key properties of (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
(5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 328.80 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10bS)-2-(4-chlorophenyl)-7-methoxy-5-methyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 7274223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).