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

C21H23N3O — CID 5128094

IUPAC1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12
InChIInChI=1S/C21H23N3O/c1-23-13-11-21(12-14-23)24-19(17-9-5-6-10-20(17)25-21)15-18(22-24)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
InChIKeySJVSUESXYZNAFJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.65
Rot. Bonds1

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

1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (PubChem CID 5128094) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].

Molecular Properties

Compound Name1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
PubChem CID5128094
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
SMILESCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12
InChIInChI=1S/C21H23N3O/c1-23-13-11-21(12-14-23)24-19(17-9-5-6-10-20(17)25-21)15-18(22-24)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
InChIKeySJVSUESXYZNAFJ-UHFFFAOYSA-N
XLogP3.65
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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CID 3473601
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CID 3499360
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CID 3716424
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CID 3723094
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CID 3735585
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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The IUPAC name of 1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] (CID 5128094) is 1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
What is the SMILES notation for 1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The canonical SMILES for 1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccccc3)=NN12.
What is the InChIKey of 1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
The InChIKey is SJVSUESXYZNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23-13-11-21(12-14-23)24-19(17-9-5-6-10-20(17)25-21)15-18(22-24)16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3.
What are the key properties of 1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]?
1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] has a molecular weight of 333.44 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2-phenylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine] is sourced from PubChem (CID 5128094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).