(5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C25H23ClN2O3 — CID 92697365

IUPAC(5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(OC)cc3)C[C@H]21
InChIInChI=1S/C25H23ClN2O3/c1-3-30-23-10-6-8-19-22-15-21(16-11-13-17(29-2)14-12-16)27-28(22)25(31-24(19)23)18-7-4-5-9-20(18)26/h4-14,22,25H,3,15H2,1-2H3/t22-,25-/m1/s1
InChIKeyAPSGEZZRVQENKU-RCZVLFRGSA-N
MW434.92 g/mol
LogP5.99
Rot. Bonds5

About (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

(5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 92697365) has the molecular formula C25H23ClN2O3 and a molecular weight of 434.92 g/mol. Its IUPAC name is (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID92697365
Molecular FormulaC25H23ClN2O3
Molecular Weight434.92 g/mol
Exact Mass434.14
IUPAC Name(5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(OC)cc3)C[C@H]21
InChIInChI=1S/C25H23ClN2O3/c1-3-30-23-10-6-8-19-22-15-21(16-11-13-17(29-2)14-12-16)27-28(22)25(31-24(19)23)18-7-4-5-9-20(18)26/h4-14,22,25H,3,15H2,1-2H3/t22-,25-/m1/s1
InChIKeyAPSGEZZRVQENKU-RCZVLFRGSA-N
XLogP5.99
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.92
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 99736878
5-(2-chlorophenyl)-7-ethoxy-2-(4-fluorophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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CID 51665227
(5R,10bR)-5-(4-ethoxyphenyl)-7-methoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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(5R,10bS)-7-ethoxy-2-(4-ethoxyphenyl)-5-(furan-2-yl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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(5S,10bR)-5-(4-chlorophenyl)-7-methoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7167365
(5S,10bR)-7-ethoxy-5-(4-ethoxyphenyl)-2-(3-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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2-(4-chlorophenyl)-7-methoxy-5-(2-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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(5S,10bS)-5-(3,4-dimethoxyphenyl)-7-ethoxy-2-(4-methylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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Frequently Asked Questions

What is the IUPAC name of (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 92697365) is (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(OC)cc3)C[C@H]21.
What is the InChIKey of (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is APSGEZZRVQENKU-RCZVLFRGSA-N. The full InChI is InChI=1S/C25H23ClN2O3/c1-3-30-23-10-6-8-19-22-15-21(16-11-13-17(29-2)14-12-16)27-28(22)25(31-24(19)23)18-7-4-5-9-20(18)26/h4-14,22,25H,3,15H2,1-2H3/t22-,25-/m1/s1.
What are the key properties of (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
(5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 434.92 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10bR)-5-(2-chlorophenyl)-7-ethoxy-2-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 92697365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).