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

C20H27N3O2 — CID 25059765

IUPAC1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
SMILESCCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-3-4-12-22-13-10-20(11-14-22)17-15-21-23(16-8-6-5-7-9-16)18(17)19(24-2)25-20/h5-9,15,19H,3-4,10-14H2,1-2H3
InChIKeyVJKLIZVDVSRNBX-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.64
Rot. Bonds5

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

1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25059765) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25059765
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]
SMILESCCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-3-4-12-22-13-10-20(11-14-22)17-15-21-23(16-8-6-5-7-9-16)18(17)19(24-2)25-20/h5-9,15,19H,3-4,10-14H2,1-2H3
InChIKeyVJKLIZVDVSRNBX-UHFFFAOYSA-N
XLogP3.64
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] (CID 25059765) is 1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] is CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1.
What is the InChIKey of 1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is VJKLIZVDVSRNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-12-22-13-10-20(11-14-22)17-15-21-23(16-8-6-5-7-9-16)18(17)19(24-2)25-20/h5-9,15,19H,3-4,10-14H2,1-2H3.
What are the key properties of 1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine]?
1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 341.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-butyl-6-methoxy-1-phenylspiro[6H-furo[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25059765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).