6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

C20H27N3O2 — CID 25059767

IUPAC6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-3-11-22-12-9-20(10-13-22)17-15-21-23(16-7-5-4-6-8-16)18(17)14-19(24-2)25-20/h4-8,15,19H,3,9-14H2,1-2H3
InChIKeyCQOWRZAMLIMIMA-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.12
Rot. Bonds4

About 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]

6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (PubChem CID 25059767) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
PubChem CID25059767
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]
SMILESCCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-3-11-22-12-9-20(10-13-22)17-15-21-23(16-7-5-4-6-8-16)18(17)14-19(24-2)25-20/h4-8,15,19H,3,9-14H2,1-2H3
InChIKeyCQOWRZAMLIMIMA-UHFFFAOYSA-N
XLogP3.12
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The IUPAC name of 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] (CID 25059767) is 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine].
What is the SMILES notation for 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The canonical SMILES for 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is CCCN1CCC2(CC1)OC(OC)Cc1c2cnn1-c1ccccc1.
What is the InChIKey of 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
The InChIKey is CQOWRZAMLIMIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-11-22-12-9-20(10-13-22)17-15-21-23(16-7-5-4-6-8-16)18(17)14-19(24-2)25-20/h4-8,15,19H,3,9-14H2,1-2H3.
What are the key properties of 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine]?
6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] has a molecular weight of 341.45 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenyl-1'-propylspiro[6,7-dihydropyrano[3,4-d]pyrazole-4,4'-piperidine] is sourced from PubChem (CID 25059767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).