1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]

C23H25N3O2 — CID 24939244

IUPAC1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21
InChIInChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3
InChIKeyFCNXGYVVSPWIJU-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.04
Rot. Bonds4

About 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]

1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 24939244) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID24939244
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
SMILESCOC1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21
InChIInChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3
InChIKeyFCNXGYVVSPWIJU-UHFFFAOYSA-N
XLogP4.04
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] (CID 24939244) is 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] is COC1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21.
What is the InChIKey of 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is FCNXGYVVSPWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-27-22-21-20(16-24-26(21)19-10-6-3-7-11-19)23(28-22)12-14-25(15-13-23)17-18-8-4-2-5-9-18/h2-11,16,22H,12-15,17H2,1H3.
What are the key properties of 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]?
1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 375.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 24939244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).