(5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C21H24N2O — CID 124823259

IUPAC(5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(C)C)cc1
InChIInChI=1S/C21H24N2O/c1-4-15-9-11-16(12-10-15)18-13-19-17-7-5-6-8-20(17)24-21(14(2)3)23(19)22-18/h5-12,14,19,21H,4,13H2,1-3H3/t19-,21+/m1/s1
InChIKeyQCVZMIHJODODIY-CTNGQTDRSA-N
MW320.44 g/mol
LogP4.77
Rot. Bonds3

About (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

(5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 124823259) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name(5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID124823259
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(C)C)cc1
InChIInChI=1S/C21H24N2O/c1-4-15-9-11-16(12-10-15)18-13-19-17-7-5-6-8-20(17)24-21(14(2)3)23(19)22-18/h5-12,14,19,21H,4,13H2,1-3H3/t19-,21+/m1/s1
InChIKeyQCVZMIHJODODIY-CTNGQTDRSA-N
XLogP4.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 4189353
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(5S,10bS)-2-(4-ethylphenyl)-5-(4-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124835227
(5R,10bR)-9-bromo-2-(4-methylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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(5R,10bR)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-ethylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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(5S,10bR)-2-(4-bromophenyl)-5-(2-methylpropyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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(5R,10bR)-5-(4-chloro-3-nitrophenyl)-2-(4-ethylphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
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Frequently Asked Questions

What is the IUPAC name of (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 124823259) is (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3C(C)C)cc1.
What is the InChIKey of (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is QCVZMIHJODODIY-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H24N2O/c1-4-15-9-11-16(12-10-15)18-13-19-17-7-5-6-8-20(17)24-21(14(2)3)23(19)22-18/h5-12,14,19,21H,4,13H2,1-3H3/t19-,21+/m1/s1.
What are the key properties of (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
(5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 320.44 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 124823259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).