2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

C23H27N3O — CID 3735585

IUPAC2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12
InChIInChI=1S/C23H27N3O/c1-2-14-25-15-12-23(13-16-25)26-21(19-10-6-7-11-22(19)27-23)17-20(24-26)18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
InChIKeyMZXLADZDUIOTCA-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.43
Rot. Bonds3

About 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (PubChem CID 3735585) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

Molecular Properties

Compound Name2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
PubChem CID3735585
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12
InChIInChI=1S/C23H27N3O/c1-2-14-25-15-12-23(13-16-25)26-21(19-10-6-7-11-22(19)27-23)17-20(24-26)18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3
InChIKeyMZXLADZDUIOTCA-UHFFFAOYSA-N
XLogP4.43
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The IUPAC name of 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (CID 3735585) is 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
What is the SMILES notation for 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The canonical SMILES for 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is CCCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12.
What is the InChIKey of 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The InChIKey is MZXLADZDUIOTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-2-14-25-15-12-23(13-16-25)26-21(19-10-6-7-11-22(19)27-23)17-20(24-26)18-8-4-3-5-9-18/h3-11,21H,2,12-17H2,1H3.
What are the key properties of 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] has a molecular weight of 361.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1'-propylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is sourced from PubChem (CID 3735585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).