2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

C23H22N2O — CID 3333129

IUPAC2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCC(C)C1Oc2ccccc2C2CC(c3ccc4ccccc4c3)=NN21
InChIInChI=1S/C23H22N2O/c1-15(2)23-25-21(19-9-5-6-10-22(19)26-23)14-20(24-25)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15,21,23H,14H2,1-2H3
InChIKeyUEYKVUJCRXXRHA-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.37
Rot. Bonds2

About 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine

2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3333129) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
PubChem CID3333129
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
SMILESCC(C)C1Oc2ccccc2C2CC(c3ccc4ccccc4c3)=NN21
InChIInChI=1S/C23H22N2O/c1-15(2)23-25-21(19-9-5-6-10-22(19)26-23)14-20(24-25)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15,21,23H,14H2,1-2H3
InChIKeyUEYKVUJCRXXRHA-UHFFFAOYSA-N
XLogP5.37
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,10bS)-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7108597
2-(4-bromophenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 4156556
(5S,10bR)-2-(4-ethylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 124823259
2-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 23961810
(5R,10bS)-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 11903202
(5R,10bR)-2-naphthalen-2-yl-5-pyridin-4-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 11903203
2-[(5S,10bR)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
CID 136877872
(5S,10bR)-5-(4-tert-butylphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 42455446
(5S,10bS)-5-(4-methylsulfanylphenyl)-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 40807855
(5S,10bS)-9-bromo-2-phenyl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7387135
(5S,10bS)-5-naphthalen-2-yl-2-phenyl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 7177227
(5R,10bR)-9-bromo-2-(4-methylphenyl)-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 11888885

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine (CID 3333129) is 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is CC(C)C1Oc2ccccc2C2CC(c3ccc4ccccc4c3)=NN21.
What is the InChIKey of 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is UEYKVUJCRXXRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-15(2)23-25-21(19-9-5-6-10-22(19)26-23)14-20(24-25)18-12-11-16-7-3-4-8-17(16)13-18/h3-13,15,21,23H,14H2,1-2H3.
What are the key properties of 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine?
2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 342.44 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3333129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).